TCMBANKIN000562 |
tannins |
Quebracho extract; 28F9E0DJY6; 67167-65-1; 1041198-33-7; TANNIC ACID; 61790-06-5; 1401-55-4; Tannins; Tannic acid [USP:JAN]; Acide tannique; SCHEMBL17432880; d'Acide tannique; 1041198-44-0; Gallotannic acid; 93615-37-3; UNII-28F9E0DJY6; 73891-88-0 |
C27H24O18 |
636.5 g/mol |
C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)O |
TCMBANKIN001438 |
piperamide c9:1(8 e) |
|
C20H27NO3 |
329.4 g/mol |
C1CCN(C1)C(=O)CCCCCCC=CC2=CC3=C(C=C2)OCO3 |
TCMBANKIN001874 |
1(7),2-p-menthadien-4-ol |
1-ISOPROPYL-4-METHYLIDENECYCLOHEX-2-EN-1-OL; 4-methylidene-1-propan-2-ylcyclohex-2-en-1-ol; xi-p-Mentha-1(7),2-dien-4-ol; AC1NSXYJ; 4-methylidene-1-(propan-2-yl)cyclohex-2-en-1-ol; p-Mentha-1(7),2-diene-4-ol |
C10H16O |
152.23 g/mol |
CC(C)C1(CCC(=C)C=C1)O |
TCMBANKIN002396 |
n-isobutyl-4,5-dihydroxy-2 e-decaenamide |
|
C14H27NO3 |
|
|
TCMBANKIN002813 |
1-(1-oxo-2 e-decaenyl) piperidine |
1-(1-oxo-2e-decaenyl)piperidine |
|
|
CCCCCCCC=CC(=O)N1CCCCC1 |
TCMBANKIN004088 |
Maruzen M |
NSC 114470; p-Ethylphenol; 4-Hydroxyphenylethane; SGCUT00257; 04700_FLUKA; BENZENE,1-ETHYL,4-HYDROXY; ZINC01690956; Phenol, p-ethyl-; Poly(4-vinylphenol); 4-06-00-03020 (Beilstein Handbook Reference); 4-Vinylphenol polymer; 29471-88-3; p-Vinylphenol polymer; Phenol, 3(or 4)-ethyl-; AI3-26063; 1-Hydroxy-4-ethylbenzene; 123-07-9; 1-Ethyl-4-hydroxybenzene; 4-Hydroxyethylbenzene; Poly(p-vinylphenol); Phenol, 4-ethenyl-, homopolymer; InChI=1/C8H10O/c1-2-7-3-5-8(9)6-4-7/h3-6,9H,2H2,1H; E44205_ALDRICH; 36724_RIEDEL; EINECS 204-598-6; 24979-70-2; Hydroxyphenylethane, p-; NSC 62012; Phenol, 4-ethyl-; 4-Ethylphenol; C13637; NSC62012; p-Hydroxystyrene polymer; to_000047; para-Ethylphenol; Poly(4-hydroxystyrene); 101052-19-1; ST5331802; Poly(p-hydroxystyrene); W315605_ALDRICH; Phenol, p-vinyl-, polymers; BRN 1363317; FEMA No. 3156; HSDB 5598; 4-ETHENYLPHENOL, HOMOPOLYMER |
C8H8O |
120.15 g/mol |
C=CC1=CC=C(C=C1)O |
TCMBANKIN004272 |
Daidzein-4,7-diglucoside |
7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-3-[4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]phenyl]-4-chromenone; 4H-1-Benzopyran-4-one, 7-(beta-D-glucopyranosyloxy)-3-(4-(beta-D-glucopyranosyloxy)phenyl)-; 7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one; 7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxyphenyl]chromone; Daidzein 4',7-diglucoside; 53681-67-7; 7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyphenyl]chromen-4-one |
C27H30O14 |
578.52 |
C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)OC4C(C(C(C(O4)CO)O)O)O)OC5C(C(C(C(O5)CO)O)O)O |
TCMBANKIN005222 |
ZINC03860434 |
|
C24H38O4 |
390.56 |
|
TCMBANKIN005947 |
Shekanin |
5-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-chromenone; 4H-1-Benzopyran-4-one, 7-(beta-D-glucopyranosyloxy)-5-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-; BRN 0068384; C10533; 611-40-5; 4',5-Dihydro-6-methoxy-7-(o-glucoside)isoflavone; 5-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one; 4-18-00-03312 (Beilstein Handbook Reference); Tectoridin; 5-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone; Tectoridin (7CI,8CI); 5-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one; 5-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
C22H22O11 |
462.4 |
COC1=C(C=C2C(=C1O)C(=O)C(=CO2)C3=CC=C(C=C3)O)OC4C(C(C(C(O4)CO)O)O)O |
TCMBANKIN006130 |
cis-p-2-menthen- 1-ol |
4beta-tert-Butyl-2-cyclohexen-1beta-ol; (1R,4S)-4-tert-butyl-1-cyclohex-2-enol; (1R,4R)-1-methyl-4-propan-2-yl-cyclohex-2-en-1-ol; 2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethyl)-, (1R,4R)-rel-; (1R,4R)-4-isopropyl-1-methyl-cyclohex-2-en-1-ol; cis-1-Methyl-4-(1-methylethyl)-2-cyclohexen-1-ol; (1R,4R)-1-methyl-4-propan-2-ylcyclohex-2-en-1-ol; cis-p-2-menthen-1-ol; (1R,4R)-4-isopropyl-1-methyl-1-cyclohex-2-enol; 2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethyl)-, cis-; cis-p-2-Menthen-1-ol; cis-4-(Isopropyl)-1-methylcyclohex-2-en-1-ol; EINECS 249-860-0; AC1O5388; (1R,4S)-4-tert-butylcyclohex-2-en-1-ol; NGXNAIZTJAUMGV-BDAKNGLRSA-N; 29803-82-5 |
C10H18O |
154.25 g/mol |
CC(C)C1CCC(C=C1)(C)O |
TCMBANKIN006234 |
Dehydrovomifoliol |
15764-81-5; ZINC00057359; (4S)-4-hydroxy-3,5,5-trimethyl-4-[(E)-3-oxobut-1-enyl]-1-cyclohex-2-enone; C02533; dehydrovomifoliol; (4S)-4-hydroxy-3,5,5-trimethyl-4-[(E)-3-oxobut-1-enyl]cyclohex-2-en-1-one; (4S)-4-hydroxy-4-[(E)-3-ketobut-1-enyl]-3,5,5-trimethyl-cyclohex-2-en-1-one |
C13H18O3 |
222.28 |
CC1=CC(=O)CC(C1(C=CC(=O)C)O)(C)C |
TCMBANKIN007092 |
glucuronic acid |
ZINC3869801; CHEBI:28860; glucuronicacid; C08350; (2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxytetrahydropyran-2-carboxylic acid; (2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxy-2-tetrahydropyrancarboxylic acid; BDP; beta-D-Glucuronic acid; (2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid; GCU; BETA-D-GALACTOPYRANURONIC ACID; beta-L-Altropyranuronic acid; beta-D-Glucopyranuronic acid; SCHEMBL15596882; BIG1006 |
C6H10O7 |
194.14 |
C1(C(C(OC(C1O)O)C(=O)O)O)O |
TCMBANKIN007905 |
Acetol |
Hydroxyacetone; Pyruvinalcohol; ZINC00895664; AI3-37788; Hydroxypropanone; 2-Propanone, 1-hydroxy-; 4-01-00-03977 (Beilstein Handbook Reference); BRN 0605368; WLN: Q1V1; Hydroxy-2-propanone; ACETYLCARBINOL; Acetone alcohol; 2-Oxopropanol; 2-Ketopropyl alcohol; 116-09-6; Pyruvic alcohol; ST5214599; 54142_FLUKA; 1-hydroxyacetone; 138185_ALDRICH; Methylketol; NSC 102497; 1-hydroxypropan-2-one; Methanol, acetyl-; C05235; NSC102497; EINECS 204-124-8; CHEBI:27957; 1-Hydroxy-2-propanone; Acetylmethanol; Hydroxymethyl methyl ketone |
C3H6O2 |
74.08 |
CC(=O)CO |
TCMBANKIN009190 |
lupenone |
lupenone ; 1617-70-5; LUPENONE; SCHEMBL1483620; NSC 281807; ZINC04081760; Lup-20(29)-en-3-one (8CI)(9CI); (1R,3aR,4S,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-1-Isopropenyl-3a,5a,5b,8,8,11a-hexamethyl-eicosahydro-cyclopenta[a]chrysen-9-one; AIDS-082905; AIDS082905 |
C30H48O |
424.7 g/mol |
CC(=C)C1CCC2(C1C3CCC4C5(CCC(=O)C(C5CCC4(C3(CC2)C)C)(C)C)C)C |
TCMBANKIN009821 |
Methyl propylate |
81988_FLUKA; ZINC01699947; EINECS 209-060-4; Propionate de methyle; propanoic acid methyl ester; InChI=1/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H; 554-12-1; Methylester kyseliny propionove [Czech]; AI3-10621; Propanoic acid, methyl ester; propionic acid methyl ester; 4-02-00-00704 (Beilstein Handbook Reference); FEMA No. 2742; Propionate de methyle [French]; W274208_ALDRICH; NSC 9375; UN1248; 109258_ALDRICH; Propionic acid, methyl ester; BRN 1737628; Methyl Propionate (natural); Methyl propionate; HSDB 5688; Methyl propionate [UN1248] [Flammable liquid]; NSC9375; WLN: 2VO1; Methyl propanoate; FEMA Number 2742 |
C4H8O2 |
88.11 |
CCC(=O)OC |
TCMBANKIN010699 |
piperamide c9:2(2 e,8 e) |
piperamide c9:2(2e,8 e) |
C20H25NO3 |
327.4 g/mol |
C1CCN(C1)C(=O)C=CCCCCC=CC2=CC3=C(C=C2)OCO3 |
TCMBANKIN010903 |
(S)-Matsutake alcohol |
ZINC02026960; (S)-1-Octen-3-ol; (S)-oct-1-en-3-ol; (3S)-oct-1-en-3-ol; CHEBI:46735; 3OL; 40577_FLUKA |
C8H16O |
128.21 |
CCCCCC(C=C)O |
TCMBANKIN012205 |
piperamide c9:3(2 e,4 e,8 e) |
piperamide c9:3(2e,4 e,8 e) |
C20H23NO3 |
325.4 g/mol |
C1CCN(C1)C(=O)C=CC=CCCC=CC2=CC3=C(C=C2)OCO3 |
TCMBANKIN012700 |
coumestrol |
NCIMech_000078; CCRIS 7311; A-Lactone; API0002121; Tox21_200032; MolPort-003-846-031; US8552057, 3; HMS3374A07; 3,9-Dihydroxy-6H-benzofuro[3,2-c]-[1]benzopyran-6-one; 6H-Benzofuro[3,2-c][1]benzopyran-6-one,3,9-dihydroxy-; Cumostrol; CHEBI:3908; C-16836; VZ31590; LS-35394; S00280; 3,9-dihydroxy-[1]benzofuro[3,2-c]chromen-6-one; MFCD00016885; SMP2_000163; DSSTox_RID_76572; 27885_FLUKA; 6H-Benzofuro[3, 3,9-dihydroxy-; 5-19-06-00405 (Beilstein Handbook Reference); BRN 0266702; 479-13-0; NSC22842; 3-Benzofurancarboxylic acid, 2-(2,4-dihydroxyphenyl)-6-hydroxy-, delta-lactone; C10205; 3,9-dihydroxy-[1]benzoxolo[3,2-c]chromen-6-one; AC1NQYXV; 3-Benzofurancarboxylic acid, 2-(2,4-dihydroxyphenyl)-6-hydroxy-, delta-lactone (6CI); NCGC00018124-01; DSSTox_CID_2399; CTK8F8799; Coumestrol, >=95.0% (HPLC); NCI60_001863; 4CN-2508; ZZIALNLLNHEQPJ-UHFFFAOYSA-N; BIDD:ER0114; NCGC00018124-03; 3,9-Dihydroxy-6H-[1]benzofuro[3,2-c]chromen-6-one #; 6H-Benzofuro(3,2-c)(1)benzopyran-6-one, 3,9-dihydroxy-; A1-00298; NSC 22842; 3,9-Dihydroxy-6H-benzofuro(3,2-c)(1)benzopyran-6-one; CCG-35536; NCGC00018124-06; 3,9-bis(oxidanyl)-[1]benzofuro[3,2-c]chromen-6-one; ZINC1219; NCGC00257586-01; 3,9-Dihydroxy-benzo[4,5]furo[3,2-c]chromen-6-one; AIDS011954; SCHEMBL22012; UNII-V7NW98OB34; 3-Benzofurancarboxylic acid, 2-(2,4-dihydroxyphenyl)-6-hydroxy-, .delta.-lactone; 6H-Benzofuro[3,2-c][1]benzopyran-6-one, 3,9-dihydroxy-; MLS000069446; CCG-36200; LMPK12090018; 3-Benzofurancarboxylic acid,4-dihydroxyphenyl)-6-hydroxy-, .delta.-lactone; 7,12-Dihydroxycoumestan; CS-6343; D02DML; CHEMBL30707; 3,9-dihydroxy-6-benzofurano[3,2-c]chromenone; ZINC00001219; 5,14-dihydroxy-8,17-dioxatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(10),2,4,6,11(16),12,14-heptaen-9-one; Oprea1_222511; MLS000738006; EINECS 207-525-6; 3,9-Dihydroxycoumestan; Coumestrol, BioReagent, suitable for fluorescence, >=97.5% (HPLC); A827386; DTXSID6022399; CAS-479-13-0; FT-0603177; ST50320052; 2-(2,4-Dihydroxyphenyl)-6-hydroxy-3-benzofurancarboxylic Acid ; 3,9-dihydroxybenzofurano[3,2-c]chromen-6-one; 3,9-dihydroxybenzo[d]chromeno[4,3-b]furan-6-one; NCGC00023462-03; AIDS-011954; V0359; Cumoestrol; DSSTox_GSID_22399; Cumoesterol; NCGC00018124-05; Coumestrol; NCGC00018124-04; V7NW98OB34; ZB000278; 3,9-Dihydroxy-6H-[1]benzofuro[3,2-c]chromen-6-one; ST5320052; AN-6463; Cumestrol; NCGC00023462-04; NCGC00018124-02; CC-25990; 6H-Benzofuro(3,2-c)(1)benzopyran-6-one, 3,9-dihdyroxy-; NSC-22842; 3,9-dihydroxybenzofuro[3,2-c]chromen-6-one; AKOS028111776; HMS2235B05; Coumesterol; COUMESTROL; BDBM23451; SMR000059001; HY-N2335; 27883_FLUKA |
C15H8O5 |
268.22 |
C1=CC2=C(C=C1O)OC3=C2C(=O)OC4=C3C=CC(=C4)O |
TCMBANKIN012820 |
1,4-Eicosadiene |
(4E)-icosa-1,4-diene |
C20H38 |
278.5 g/mol |
CCCCCCCCCCCCCCCC=CCC=C |
TCMBANKIN013310 |
Piperitylhonokiol |
AC1NSZON; 2-(4-hydroxy-3-prop-2-enylphenyl)-6-(3-methyl-6-propan-2-ylcyclohex-2-en-1-yl)-4-prop-2-enylphenol; piperitylhonokiol |
C28H34O2 |
402.6 g/mol |
CC1=CC(C(CC1)C(C)C)C2=CC(=CC(=C2O)C3=CC(=C(C=C3)O)CC=C)CC=C |
TCMBANKIN014175 |
Piperitenone |
NCI60_023460; 3-methyl-6-propan-2-ylidene-cyclohex-2-en-1-one; LMPR0102090056; p-Menth-1,4(8)-dien-3-one; CHEMBL54161; UNII-IKR841W74D; 3-Methyl-6-(1-methylethylidene)-2-cyclohexen-1-one #; NSC-667470; CHEBI:17304; ZINC18157343; IKR841W74D; AIDS-161030; Pulespenone; FEMA No. 3560; 6-isopropylidene-3-methyl-cyclohex-2-en-1-one; p-Mentha-1,4(8)-dien-3-one; 2-Cyclohexen-1-one,3-methyl-6-(1-methylethylidene)-; SCHEMBL220677; 1-Methyl-4-isopropylidene-1-cyclohexen-3-one; NSC667470; AC1Q6A92; FEMA 3560; AK546262; 3-Methyl-6-(propan-2-ylidene)cyclohex-2-enone; 3-methyl-6-propan-2-ylidenecyclohex-2-en-1-one; AIDS161030; 3-Methyl-6-(1-methylethylidene)-2-cyclohexen-1-one; 2-CYCLOHEXEN-1-ONE, 3-METHYL-6-(1-METHYLETHYLIDENE)-; 3-Methyl-6-(1-methylethylidene)-2-cyclohexen-1-one, 9CI; HKZQJZIFODOLFR-UHFFFAOYSA-N; AKOS022504705; 3-methyl-6-(propan-2-ylidene)cyclohex-2-en-1-one; HKZQJZIFODOLFR-UHFFFAOYSA-; 6-isopropylidene-3-methyl-1-cyclohex-2-enone; MolPort-001-787-631; Z2492396266; piperitenone; EINECS 207-729-5; InChI=1/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h6H,4-5H2,1-3H3; C01951; AC1L8GSJ; 6-Isopropylidene-3-methyl-2-cyclohexenone; 3-Methyl-6-(1-methylethylidene)cyclohex-2-en-1-one; 3-Terpinolenone; 491-09-8 |
C10H14O |
150.22 |
CC1=CC(=O)C(=C(C)C)CC1 |
TCMBANKIN014188 |
Hexyl palmitate |
AI3-30711; palmitic acid hexyl ester; hexyl hexadecanoate; hexadecanoic acid hexyl ester; 42232-25-7; EINECS 255-723-6; Hexadecanoic acid, hexyl ester |
C22H44O2 |
340.58 |
CCCCCCCCCCCCCCCC(=O)OCCCCCC |
TCMBANKIN015265 |
sarmentosin |
4CN-1777; 2-Butenenitrile, 4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)-, (E)-; (Z)-2-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-2-enenitrile; AC1O5Q6P; AKOS032948571; Sarmentosine |
C11H17NO7 |
275.25 g/mol |
C(C=C(CO)C#N)OC1C(C(C(C(O1)CO)O)O)O |
TCMBANKIN015686 |
DIMETHYL SUBERATE |
Octanedioic acid, dimethyl ester; octanedioic acid dimethyl ester; 1732-09-8; suberic acid dimethyl ester; 149012_ALDRICH; ZINC02039283; Dimethyl octanedioate; EINECS 217-059-5; Suberic acid, dimethyl ester |
C10H18O4 |
202.25 |
COC(=O)CCCCCCC(=O)OC |
TCMBANKIN016197 |
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-9-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2S,3R,4R,5R,6S)-3,4,5-trihy |
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-9-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydr; (2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-9-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-methylol-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-m |
C48H78O17 |
927.12 |
|
TCMBANKIN016693 |
trans-pinocarveol |
Pinocarveol, cis-(+/-)-; trans-pinocarveol ; ZINC4102279; UNII-31P964S048 component LCYXQUJDODZYIJ-HRDYMLBCSA-N; (1R,5beta)-6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptan-3alpha-ol; 6712-79-4; Bicyclo(3.1.1)heptan-3-ol, 6,6-dimethyl-2-methylene-, (1R,3R,5R)-rel-; DTXSID00217419; trans- pinocarveol; Bicyclo(3.1.1)heptan-3-ol, 6,6-dimethyl-2-methylene-, (1alpha,3beta,5alpha)-; 2(10)-Pinen-3-ol, cis-; UNII-0WG2C7KI43 component LCYXQUJDODZYIJ-HRDYMLBCSA-N; trans-Pinocarveol |
C10H16O |
152.23 g/mol |
CC1(C2CC1C(=C)C(C2)O)C |
TCMBANKIN016769 |
(1-oxo-3-phenyl-2 e-propenyl)pyrrolidine |
(1-oxo-3-phenyl-2e-propenyl)pyrrolidine |
|
|
C1CCN(C1)C(=O)C=CC2=CC=CC=C2 |
TCMBANKIN016996 |
kaikasaponinI |
kaikasaponin I; kaikasaponin i |
C42H68O13 |
781 g/mol |
CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C(C1)O)C)C)C)(C)C)OC6C(C(C(C(O6)C(=O)O)O)O)OC7C(C(C(C(O7)CO)O)O)O)C)C |
TCMBANKIN017596 |
Soyasaponin VI |
3-O-(Rhamnopyranosyl-1-2-galactopyranosyl-1-2-glucuronopyranosyl-1-)-22-O-(3'-hydroxy-2'-methyl-5',6'-dihydro-4'-pyrone-6'-)-3,22,24-trihydroxyolean-12-ene; (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-4-(hydroxymethyl)-9-[[(2R)-5-hydroxy-6-methyl-4-oxo-2,3-dihydropyran-2-yl]oxy]-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[[(2S,3R,4S,; beta-D-Glucopyranosiduronic acid, (3beta,4beta,22beta)-22-((3,4-dihydro-5-hydroxy-6-methyl-4-oxo-2H-pyran-2-yl)oxy)-23-hydroxylean-12-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-beta-D-galactopyranosyl-(1-2)-; Chromosaponin I; (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-4-(hydroxymethyl)-9-[[(2R)-5-hydroxy-6-methyl-4-oxo-2,3-dihydropyran-2-yl]oxy]-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4S,5; 145680-57-5; 143519-54-4; (3beta,4beta,22beta(R))-22-((3,4-Dihydro-5-hydroxy-6-methyl-4-oxo-2H-pyran-2-yl)oxy)-23-hydroxylean-12-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-beta-D-galactopyranosyl-(1-2)-beta-D-Glucopyranosiduronic acid; (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-9-[[(2R)-5-hydroxy-4-keto-6-methyl-2,3-dihydropyran-2-yl]oxy]-4,6a,6b,8a,11,11,14b-heptamethyl-4-methylol-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4S,5R,6R)- |
C54H84O21 |
1069.23 |
CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(C(OC3OC4CCC5(C(C4(C)CO)CCC6(C5CC=C7C6(CCC8(C7CC(CC8OC9CC(=O)C(=C(O9)C)O)(C)C)C)C)C)C)C(=O)O)O)O)CO)O)O)O)O)O |
TCMBANKIN017682 |
3,8,9-thihydroxy-6H-benzo[c] chromen-6-one |
|
|
|
|
TCMBANKIN019008 |
piperoline a,b |
piperoline a, b |
|
|
|
TCMBANKIN020246 |
(3S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,9-diol |
|
C30H50O2 |
442.72 |
|
TCMBANKIN020500 |
Tricosanol |
3133-01-5; Tricosyl alcohol; T9524_SIGMA; 1-TRICOSANOL; Tricosan-1-ol; EINECS 221-527-4 |
C23H48O |
340.6 g/mol |
CCCCCCCCCCCCCCCCCCCCCCCO |
TCMBANKIN020610 |
3-hexenyl acetate butyrate |
|
|
|
|
TCMBANKIN021112 |
SKM |
3,4,5-Trihydroxy-1-cyclohexenecarboxylic acid; C00493; HSDB 3537; CHEBI:16119; (3R,4S,5R)-(−)-3,4,5-Trihydroxy-1-cyclohexenecarboxylic acid; S5375_SIGMA; SMP1_000326; KBio2_001712; 1-Cyclohexene-1-carboxylic acid, 3,4,5-trihydroxy-, (3R-(3alpha,4alpha,5beta)); KBio1_001528; (3R,4S,5R)-(-)-3,4,5-Trihydroxy-1-cyclohexenecarboxylic acid; SPBio_001555; SDCCGMLS-0066740.P001; 1-Cyclohexene-1-carboxylic acid, 3,4,5-trihydroxy-, (3R-(3alpha,4alpha,5beta))-; NSC 59257; SPECTRUM1502256; EINECS 205-334-2; KBio2_006848; Shikimic acid [3R-(3alpha,4alpha,5beta)]-3,4,5-Trihydroxy-1-cyclohexene-1-carboxylic acid; L-Shikimic acid; InChI=1/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,8-10H,2H2,(H,11,12)/t4-,5-,6-/m1/s; NCGC00142601-01; KBioSS_001712; 1-Cyclohexene-1-carboxylic acid, 3,4,5-trihydroxy-, (3R,4S,5R)- (9CI); SBB012371; (3R,4S,5R)-3,4,5-trihydroxy-1-cyclohexenecarboxylic acid; Spectrum3_001541; (3R,4S,5R)-3,4,5-trihydroxycyclohexene-1-carboxylic acid; 1-Cyclohexene-1-carboxylic acid, 3,4,5-trihydroxy-, (3R-(3alpha,4alpha,5beta))- (9CI); KBio2_004280; Spectrum2_001508; (3R,4S,5R)-3,4,5-Trihydroxycyclohex-1-enecarboxylic acid; (-)-Shikimic acid; BSPBio_002982; CCRIS 7681; 1-cyclohexene-1-carboxylic acid, 3,4,5-trihydroxy-, (3R,4S,5R)-; KBio3_002482; MEGxp0_001939; Spectrum5_000386; SpecPlus_000488; DHK; Spectrum4_001853; DivK1c_006584; [3R-(3alpha,4alpha,5beta)]-3,4,5-trihydroxy-1-cyclohexene-1-carboxylic acid; Spectrum_001232; 3alpha,4alpha,5beta-Trihydroxy-1-cyclohexene-1-carboxylic acid; SR-01000632403-1; KBioGR_002287; (-)-3,4,5-Trihydroxy-1-cyclohexene-1-carboxylic acid; S-5181; (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID |
C7H10O5 |
174.15 |
CC(C)(C)OC(=O)N1C2=C(C=N1)C(=CC=C2)Br |
TCMBANKIN021506 |
EGMEA |
308269_ALDRICH; CCRIS 5832; Ethylene glycol monomethyl ether acetate [UN1189] [Flammable liquid]; 2-Methoxy-ethyl acetaat [Dutch]; .beta.-Methoxyethyl acetate; Methylglycolacetate; Acetate de methyle glycol [French]; Aethylenglykolmethylaetheracetat [German]; Methyl glycol monoacetate; Methylcellosolveacetate; 1-Acetoxy-2-methoxyethane; 2-methoxyethyl ethanoate; Acetyl methyl cellosolve; Glycol monomethyl ether acetate; MeCsac; Ethanol, methoxy-, acetate; Ethylene glycol acetate monomethyl ether; Ethylene glycol methyl acetate; AI3-11272; 2-Methoxyethylester kyseliny octove [Czech]; 109886_ALDRICH; Acetato di metil cellosolve [Italian]; beta-Methoxyethyl acetate; Diethylene glycol methyl ether acetate; UN1189; 32718-56-2; 2-Methyoxyethylacetate; Ethanol, 2-methoxy-, acetate; BRN 1700761; 2-Methoxyaethylacetat [German]; 4-02-00-00214 (Beilstein Handbook Reference); METHYL CELLOSOLVE ACETATE; 2-Methoxyethyle, acetate de [French]; Methyl glycol acetate; 110-49-6; Acetic acid 2-methoxyethyl ester; Ethylene glycol methyl ether acetate; 2-Methoxyethanol acetate; 2-Metossietilacetato [Italian]; Methylglykolacetat [German]; Acetic acid, 2-methoxyethyl ester; EINECS 203-772-9; Ethylene glycol monomethyl ether acetate; 2-Methoxyethanol, acetate; Methyl cellosolye acetaat [Dutch]; HSDB 156; ZINC02041072; InChI=1/C5H10O3/c1-5(6)8-4-3-7-2/h3-4H2,1-2H; Acetate de l'ether monomethylique de l'ethylene-glycol [French]; Methylcelosolvacetat [Czech]; 2-Methoxyethyl acetate; Ethylene glycol monomethyl ether monoacetate |
C5H10O3 |
118.13 g/mol |
CC(=O)OCCOC |
TCMBANKIN021789 |
n-isobutyl-2 e,4 e,12z-octadecatrienamide |
n-isobutyl-2e,4 e,12z-octadecatrienamide |
C22H39NO |
|
CCCCCC=CCCCCCCC=CC=CC(=O)NCC(C)C |
TCMBANKIN022360 |
(±)-threo-n-isobutyl-4,5-dihydroxy-2 e-octaenamide |
(±)-threo-n-isobutyl-4,5-dihydroxy-2e-octaenamide |
C12H23NO3 |
|
CCCC(C(C=CC(=O)NCC(C)C)O)O |
TCMBANKIN022423 |
l-phellandrene |
L- Phellandrene |
|
|
|
TCMBANKIN022613 |
1(7),2-p-Menthadien-6-ol |
3-Cyclohexen-1-ol, 2-methylene-5-(1-methylethyl)-, trans-; 1(7),2-p-menthadien-6-ol; 3-Cyclohexen-1-ol, 2-methylene-5-(1-methylethyl)-, (1S-trans)- (9CI); 95259-30-6; 114179-04-3; (1S,5R)-5-ISOPROPYL-2-METHYLIDENECYCLOHEX-3-EN-1-OL; VKAGFXRPRUAOHV-ZJUUUORDSA-N; CTK3F4020 |
C10H16O |
152.23 |
CC(C)C1CC(C(=C)C=C1)O |
TCMBANKIN023322 |
tectorigenin |
AK119808; 855130H9CO; KBio2_003809; Q-100619; K 251T; 5,7-dihydroxy-3-(4-hydroxyphenyl)-6-methoxychromen-4-one; DivK1c_006241; SCHEMBL351641; KBio1_001185; I07-0272; 5-18-05-00311 (Beilstein Handbook Reference); ISOFLAVONE, 4',5,7-TRIHYDROXY-6-METHOXY-; GTPL9738; KBioSS_001241; NP-005651; AX8245224; CHEBI:9429; ZINC899915; LMPK12050385; Tectorigenine; BDBM50241222; 548T776; Spectrum_000761; AC1NQZ4T; 4',5',7-trihydroxy-6-methoxyisoflavone; BG01592771; 4CN-1307; 548-77-6; Tectorigenin; tectorigenin ; AN-45829; 5,7-dihydroxy-3-(4-hydroxyphenyl)-6-methoxy-chromen-4-one; C10534; CS-0009804; 5,7,4'-Trihydroxy-6-methoxyisoflavone; DTXSID50203286; FT-0688353; 5,7-dihydroxy-3-(4-hydroxyphenyl)-6-methoxy-chromone; SpecPlus_000145; 5,7-dihydroxy-3-(4-hydroxyphenyl)-6-methoxy-4H-1-benzopyran-4-one; KBio2_006377; MCULE-2089260732; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(4-hydroxyphenyl)-6-methoxy-; KBio2_001241; Y0198; 5,7-dihydroxy-3-(4-hydroxyphenyl)-6-methoxy-4H-chromen-4-one; AJ-24294; BRN 0305601; HY-N0792; 5,7-dihydroxy-3-(4-hydroxyphenyl)-6-methoxy-4-chromenone; MFCD00597094; MolPort-003-665-854; 4',5,7-Trihydroxy-6-methoxyisoflavone; LS-84477; Tectorigenin, analytical standard; AKOS015897084; N1647; CHEMBL242740; UNII-855130H9CO |
C16H12O6 |
300.26 |
COC1=C(C2=C(C=C1O)OC=C(C2=O)C3=CC=C(C=C3)O)O |
TCMBANKIN023429 |
Kakkalide |
5-hydroxy-6-methoxy-3-(4-methoxyphenyl)-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxy-2-tetrahydropyranyl]oxymethyl]-2-tetrahydropyranyl]oxy]-4-chromenone; 5-hydroxy-6-methoxy-3-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chromone; 5-hydroxy-6-methoxy-3-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chromen-4-one; 5-hydroxy-6-methoxy-3-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one; 4H-1-Benzopyran-4-one, 5-hydroxy-6-methoxy-3-(4-methoxyphenyl)-7-((6-O-beta-D-xylopranosyl-beta-D-glucopyranosyl)oxy)-; 5-hydroxy-6-methoxy-3-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxy-chromen-4-one; 58274-56-9 |
C28H32O15 |
608.54 |
COC1=CC=C(C=C1)C2=COC3=CC(=C(C(=C3C2=O)O)OC)OC4C(C(C(C(O4)COC5C(C(C(CO5)O)O)O)O)O)O |
TCMBANKIN023757 |
(S)-Allantoin |
(S)(+)-Allantoin; [(4S)-2,5-dioxoimidazolidin-4-yl]urea; CAS-97-59-6; NCGC00016358-01; [(4S)-2,5-dioxo-4-imidazolidinyl]urea; ZINC00901025; [(4S)-2,5-diketoimidazolidin-4-yl]urea; 3AL; N-[(4S)-2,5-dioxoimidazolidin-4-yl]urea; (S)-(+)-allantoin; C02350; CHEBI:15678; nchembio768-comp4; N-((S)-2,5-dioxoimidazolidin-4-yl)urea |
C4H6N4O3 |
158.12 |
C1(C(=O)NC(=O)N1)NC(=O)N |
TCMBANKIN025169 |
Garbanzol |
1226-22-8; SCHEMBL9663852; (2R,3R)-3,7-dihydroxy-2-(4-hydroxyphenyl)-4-chromanone; AC1MR5CU; C09751; (2R,3R)-3,7-dihydroxy-2-(4-hydroxyphenyl)chroman-4-one; 3,7,4'-Trihydroxyflavanone; garbanzol; 3,7,4'-Trihydroxyflavanon; 3,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one; 3,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one; (2R,3R)-3,4',7-Trihydroxyflavanone |
C15H12O5 |
272.25 |
C1=CC(=CC=C1C2C(C(=O)C3=C(O2)C=C(C=C3)O)O)O |
TCMBANKIN025737 |
(E)-4-[(4R)-4-hydroxy-2,6,6-trimethyl-1-cyclohexenyl]but-3-en-2-one |
|
C13H20O2 |
208.3 |
|
TCMBANKIN026195 |
4-Methyltetra-decane |
|
C15H32 |
212.41 g/mol |
CCCCCCCCCCC(C)CCC |
TCMBANKIN026703 |
1-[1-oxo-3(3,4-methylenedioxy-5-methoxy-phenyl)-2zpropenyl] piperidine |
|
C16H19NO4 |
289.33 g/mol |
COC1=CC(=CC2=C1OCO2)C=CC(=O)N3CCCCC3 |
TCMBANKIN028370 |
(R)-Allantoin |
CHEBI:15677; InChI=1/C4H6N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h1H,(H3,5,6,10)(H2,7,8,9,11; [(4R)-2,5-diketoimidazolidin-4-yl]urea; (R)(-)-Allantoin; C02348; N-[(4R)-2,5-dioxoimidazolidin-4-yl]urea; [(4R)-2,5-dioxo-4-imidazolidinyl]urea; (R)-(-)-allantoin; ZINC00901026; urea, N-(2,5-dioxo-4-imidazolidinyl)-; [(4R)-2,5-dioxoimidazolidin-4-yl]urea |
C4H6N4O3 |
158.12 |
C1(C(=O)NC(=O)N1)NC(=O)N |
TCMBANKIN028632 |
dihydrocarveol |
|
C10H18O |
154.25 g/mol |
CC1CCC(CC1O)C(=C)C |
TCMBANKIN028740 |
1-(1,6-dioxo-2e,4 e-decadienyl)piperidine |
|
C15H23NO2 |
|
CCCCC(=O)C=CC=CC(=O)N1CCCCC1 |
TCMBANKIN029006 |
piperonal |
1,3-benzodioxole-5-carbaldehyde; FR-0263; 3,4-Dihydroxybenzaldehyde methylene ketal; Heliotropine; CCRIS 5928; 3,4-(Methylenedioxy)benzaldehyde; NCGC00091137-01; CHEBI:8240; Geliotropin; 120-57-0; W291102_ALDRICH; 3,4-Methylene-dihydroxybenzaldehyde; C10812; 3,4-Methylenedioxybenzaldehyde; WLN: T56 BO DO CHJ GVH; Heliotropin (natural); NSC 26826; SBB007752; Piperonylaldehyde; 5-Formyl-1,3-benzodioxole; Dioxymethylene protocatechuic aldehyde; Piperonyl aldehyde; Benzaldehyde, 3,4-(methylenedioxy)-; InChI=1/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H; Piperonaldehyde; Protocatechuic aldehyde methylene ether; EINECS 204-409-7; ZINC00001953; NSC26826; FEMA No. 2911; 3,4-Dimethylenedioxybenzaldehyde; 1,3-Benzodioxole-5-carboxaldehyde; 80820_FLUKA; P49104_ALDRICH; 3,4-METHYLEN-DIOXY-BENZALDEHYDE; 3,4-Bis(methylenedioxy)benzaldehyde; AI3-01198; Dioxymethylene-protocatechuic aldehyde; 30024-74-9; HSDB 581; Piperonal; LS-631; Heliotropin |
C8H6O3 |
150.13 g/mol |
C1OC2=C(O1)C=C(C=C2)C=O |
TCMBANKIN029077 |
n-isobutyl-(2 e,4 e)-octadienamide |
n-isobutyl-(2e,4 e)-octadienamide |
C12H21NO |
195.3 g/mol |
CCCC=CC=CC(=O)NCC(C)C |
TCMBANKIN029319 |
1,8-menthadien-10-ol acetate |
|
|
|
CC1=CCC(CC1)C(=C)COC(=O)C |
TCMBANKIN029594 |
1-[1-oxo-7(3,4-methylenedioxyphenyl)-2 e,4 e,6 e-heptatrienyl]pyrrolidine |
1-[1-oxo-7(3,4-methylenedioxyphenyl)-2e,4 e,6 e-heptatrienyl]pyrrolidine |
|
|
C1CCN(C1)C(=O)C=CC=CC=CC2=CC3=C(C=C2)OCO3 |
TCMBANKIN030168 |
Methyl isovalerate |
W275301_ALDRICH; Methyl 3-methylbutanoate; 59900_FLUKA; 4-02-00-00897 (Beilstein Handbook Reference); METHYL (3-METHYL)BUTANOATE; FEMA No. 2753; 556-24-1; 36492_FLUKA; Methyl isovalerianate; Methyl isovalerate [UN2400] [Flammable liquid]; Isovaleric acid, methyl ester; Methyl isopentanoate; Methyl isovalerate (natural); ZINC00391144; 3-methylbutyric acid methyl ester; 3-methylbutanoic acid methyl ester; EINECS 209-117-3; Methyl 3-methylbutyrate; UN2400; InChI=1/C6H12O2/c1-5(2)4-6(7)8-3/h5H,4H2,1-3H; BRN 1699922; Butanoic acid, 3-methyl-, methyl ester |
C6H12O2 |
116.16 |
CC(C)CC(=O)OC |
TCMBANKIN031290 |
CRS |
3-methyl-1-hydroxybenzene; CPD-112; NCGC00159366-02; C85727_ALDRICH; W353000_ALDRICH; Metacresol; Rover's Dog Shampoo; m-Kresol [German]; CHEBI:17231; Metacresol [USAN]; WLN: QR C1; hydroxy-3-methylbenzene; m-Hydroxytoluene; m-cresylic; 65996_FLUKA; InChI=1/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H; c0282; meta-cresylic acid; Caswell No. 261A; ZINC00897141; NCGC00159366-03; meta-cresol; m-toluol; m-oxytoluene; Phenol, 3-methyl-; HSDB 1815; 3-methylphenol; AI3-00136; m-Cresol [UN2076] [Poison, Corrosive]; NCGC00159366-05; 1-Methyl-3-hydroxybenzene; EINECS 203-577-9; Cresol, m-; m-cresylic acid; NSC8768; Franklin Cresolis; AIDS017739; m-Cresol, compd. With p-cresol (2:1); Metacresol (USP); 3-hydroxytoluene; CRESOL, META; Cresol, m-isomer; m-Cresole; D04951; EPA Pesticide Chemical Code 022102; NCGC00159366-04; m-methylphenol; FEMA No. 3530; 108-39-4; TOLUENE,3-HYDROXY (META-CRESOL); Celcure Dry Mix (chemicals for wood preserving); C01467; 15831-10-4; m-kresol; AIDS-017739; CCRIS 645; NSC 8768; 3-cresol; m-cresol; 1-hydroxy-3-methylbenzene; 442391_SUPELCO |
C7H8O |
108.14 |
CC1=CC(=CC=C1)O |
TCMBANKIN032096 |
triterpenoidsaponin |
triterpenoid saponin |
|
767.07 |
CC1C2C(C(C(O1)OC3C(C(COC3OC(=O)C45CCC(CC4(C6=CCC7(C(C6(CC5)C)(CCC8C7(CC(C(C8(C)CO)OC9C(C(C(C(O9)CO)O)O)OC1C(C(C(C(O1)C(=O)CC(CC(=O)O2)(C)O)O)O)O)O)C)C)C)C)(C)C)O)O)O)OC1C(C(C(CO1)O)O)O |
TCMBANKIN032928 |
5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chromone |
5-hydroxy-2-(4-hydroxyphenyl)-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-tetrahydropyranyl]oxymethyl]-2-tetrahydropyranyl]oxy]-4-chromenone; 5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chromen-4-one; 5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one; 5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxymethyl]oxan-2-yl]oxy-chromen-4-one |
C27H30O14 |
578.52 |
|
TCMBANKIN033042 |
kakkatin |
|
C16H12O5 |
284.26 |
COC1=C(C=C2C(=C1)OC=C(C2=O)C3=CC=C(C=C3)O)O |
TCMBANKIN034052 |
n-isobutyl-4,5-epoxy-2 e-decaenamide |
n-isobutyl-4,5-epoxy-2e-decaenamide |
C14H25NO2 |
|
CCCCCC1C(O1)C=CC(=O)NCC(C)C |
TCMBANKIN034149 |
piperamide c7:1(6 e) |
|
C18H23NO3 |
301.4 g/mol |
C1CCN(C1)C(=O)CCCCC=CC2=CC3=C(C=C2)OCO3 |
TCMBANKIN035365 |
cis-p-2,8-Menthadien-1-ol |
1-Methyl-4-(1-methylethenyl)-2-cyclohexen-1-ol cis-; (1R,4S)-1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol; (1R,4S)-1-methyl-4-prop-1-en-2-yl-cyclohex-2-en-1-ol; 3886-78-0; 2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethenyl)-, cis-; (1R,4S)-4-isopropenyl-1-methyl-cyclohex-2-en-1-ol; (1R,4S)-4-isopropenyl-1-methyl-1-cyclohex-2-enol; cis-p-2,8-menthadien-1-ol |
C10H16O |
152.23 |
CC(=C)C1CCC(C=C1)(C)O |
TCMBANKIN035371 |
1-[1-oxo-3(3,4-methylenedioxyphenyl)-2 e-propenyl]pyrrolidine |
1-[1-oxo-3(3,4-methylenedioxyphenyl)-2e-propenyl]pyrrolidine |
|
|
C1CCN(C1)C(=O)C=CC2=CC3=C(C=C2)OCO3 |
TCMBANKIN035647 |
n-isobutyl-2 e,4 e-dodedienamide |
n-isobutyl-2e,4 e-dodedienamide |
C16H29NO |
|
CCCCCCCC=CC=CC(=O)NCC(C)C |
TCMBANKIN035943 |
Methyl linolelaidate |
9,12-Octadecadienoic acid, methyl ester, (E,E)-; 9,12-OCTADECADIENOIC ACID (Z,Z)-, METHYL ESTER, HYDROPEROXIDE; 62155_FLUKA; EINECS 219-901-7; Methyl (9E,12E)-9,12-octadecadienoate; 9,12-Octadecadienoic acid (9Z,12Z)-, methyl ester, hydroperoxide; 11068-03-4; 2462-85-3; Methyl octadeca-9,12-dienoate; Methyl linoleate hydroperoxide; Methyl (9E,12E)-octadeca-9,12-dienoate; EINECS 219-560-4; AI3-36451; Linolelaidic acid, methyl ester; Methyl trans,trans-9,12-octadecadienoate; L2251_SIGMA; 2566-97-4; (9E,12E)-octadeca-9,12-dienoic acid methyl ester; octadeca-9,12-dienoic acid methyl ester; Methyllinolelaidate; Linolelaidic acid methyl ester |
C19H34O2 |
294.47 |
CCCCCC=CCC=CCCCCCCCC(=O)OC |
TCMBANKIN036796 |
puerarin |
8-(beta-D-Glucopyranosyl-7-hydroxy-3- (4-hydroxyphenyl)-4H-1-benzopyran-4-one; NPI-31G; 7-hydroxy-3-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one; SCHEMBL14329031; 7-hydroxy-3-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]-4-chromenone; 82435_FLUKA; daidzein 8-C-glucoside; Puerarin; P5555_SIGMA; 7-hydroxy-3-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-one; 3681-99-0; ANGC-3681-99-0; 8-(beta-D-Glucopyranosyl)-4',7-dihydroxyisoflavone; C10524; 7-hydroxy-3-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]chromone |
C21H20O9 |
416.378 |
[C@]1([H])(O[H])[C@@]([H])(C([H])([H])O[H])O[C@@]([H])(c(c(O[H])c2[H])c(OC([H])=C(c3c([H])c([H])c(O[H])c([H])c3[H])C4=O)c4c2[H])[C@]([H])(O[H])[C@@]1([H])O[H] |
TCMBANKIN036832 |
daidzein |
486-66-8; AIDS-059333; ST057515; KBio2_005871; CCRIS 7600; 7-Hydroxy-3-(4-hydroxy- phenyl)- chromone; SPBio_000205; AIDS059333; 4′,7-Dihydroxy- iso- flavone; nchembio.2007.28-comp31; KBio2_003303; Spectrum3_000191; Isoflavone, 4',7-dihydroxy- (8CI); Oprea1_182317; 7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one; Spectrum5_000857; NCGC00025156-01; BiomolKI_000060; S00273; NCGC00015365-01; KBio1_001023; BiomolKI2_000066; KBioSS_000735; Daidzeol; SMP1_000089; 7,4'-Dihydroxyisoflavone; 7-Hydroxy-3-(4-hydroxyphenyl)-4-benzopyrone; C10208; SPECTRUM200789; nchembio.76-comp16; BSPBio_001741; NCGC00025156-09; Daidzein (6CI); 4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-hydroxyphenyl)-; BRN 0231523; 5-18-04-00089 (Beilstein Handbook Reference); Daidzein; Daidzein (4',7-Dihydroxyisoflavone); KBioGR_002432; NINDS_001023; KBio2_000735; ACon1_000543; NCGC00025156-07; ZINC00047551; daidzein ; NCGC00025156-02; Lopac-D-7802; Tocris-1417; 7-hydroxy-3-(4-hydroxyphenyl)chromone; ACon0_001477; 7-Hydroxy-3-(4-hydroxy-phenyl)-chromone; KBio3_001241; DivK1c_001023; Spectrum4_001964; K 251b; UPCMLD-DP052:001; IDI1_001023; MEGxm0_000123; Lopac0_000412; D7802_SIGMA; Spectrum2_000053; EINECS 207-635-4; Spectrum_000255; 4′,7-Dihydroxyisoflavone; NCGC00025156-05; 4',7-Dihydroxy-iso-flavone; NCGC00025156-04; 7-hydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one; 7-Hydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; 7-hydroxy-3-(4-hydroxyphenyl)-4-chromenone; 7-Hydroxy-3-(4-hydroxy- phenyl)-4H-1-benzo- pyran-4-one; EU-0100412; CHEBI:28197; SDCCGMLS-0066422.P001; 4',7-Dihydroxyisoflavone; Oprea1_305345 |
C15H10O4 |
254.238 |
c1([H])c(C(=O)C(c2c([H])c([H])c(O[H])c([H])c2[H])=C([H])O3)c3c([H])c(O[H])c1[H] |
TCMBANKIN036842 |
piperine |
KBio2_003371; AIDS024972; SPBio_002547; ZINC01529772; Piperidine, 1-[5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]-, (E,E)-; 1-[5-(3,4-Methylenedioxyphenyl)-1-oxo-2,4-pentadienyl]piperidine; DivK1c_000954; NSC242267; CCRIS 5572; 1-(5-(1,3-Benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)piperidine, (E,E)-; P49007_ALDRICH; BSPBio_000608; 7780-20-3; Piperidine, 1-[5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]-; 1-[5-(3,4-pentadienyl]piperidine; Piperin; Piperidine, 1-(5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)-, (E,E)-; Piperine (aliphatic); piperine ; SCHEMBL14171509; Spectrum2_000049; KBioSS_000803; 1-PIPEROYL-(E,E)-PIPERIDINE; ZINC5945454; IDI1_000954; (2E,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one; Piperidine, 1-(5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)-, (Z,E)-; NCGC00094872-03; Prestwick1_000474; 1-Piperoyl-piperidine; InChI=1/C17H19NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h2-3,6-9,12H,1,4-5,10-11,13H2/b6-2+,7-3; NCGC00094872-01; Piperidine, 1-piperoyl-, (E,E)-; Piperidine, 1-[5-(3,4-methylenedioxyphenyl)-1-oxo-2,4-pentadienyl]-; SR-01000638580-1; Piperidine,4-methylenedioxyphenyl)-1-oxo-2,4-pentadienyl]-; UNII-Z3C7H03C5M; KBio1_000954; BPBio1_000670; N-[(E,E)-piperoyl]-piperidine; 1-Piperoylpiperidine; Piperidine, 1-(5-(3,4-methylenedioxyphenyl)-1-oxo-2,4-pentadienyl)-; 5-(1,3-benzodioxol-5-yl)-1-piperidino-penta-2,4-dien-1-one; NCGC00094872-02; Z3C7H03C5M; (2Z,4E)-5-(2H-1,3-BENZODIOXOL-5-YL)-1-(PIPERIDIN-1-YL)PENTA-2,4-DIEN-1-ONE; piperidine, 1-[(2E,4E)-5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]-; NSC21727; 1-(5-(3,4-Methylenedioxyphenyl)-1-oxo-2,4-pentadienyl)piperidine; Spectrum_000323; (2Z,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one; 1,3-Benzodioxol-5-yl-1-oxo-2,4-pentadienyl-piperine; (E,E) 1-[5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]piperidine; (2E,4E)-5-(1,3-benzodioxol-5-yl)-1-(1-piperidyl)penta-2,4-dien-1-one; Piperidine, 1-(5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)-, (E,E)- (9CI); Spectrum4_000708; 1-Piperoylpiperidine, (E,E)-; KBio3_002015; Prestwick3_000474; AIDS-024972; Spectrum3_000868; KBio2_005939; Prestwick_398; Prestwick0_000474; Prestwick2_000474; Piperidine, 1-((2E,4E)-5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)-; (E,E)-1-piperoylpiperidine; FEMA No. 2909; SPBio_000177; C03882; 147030-08-8; N-[(E,E)-Piperoyl]piperidine; 80810_FLUKA; Piperoylpiperidine; 5-(1,3-benzodioxol-5-yl)-1-(1-piperidyl)penta-2,4-dien-1-one; Spectrum5_001507; 94-62-2; 1-[(2E,4E)-5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]piperidine; W290904_ALDRICH; NINDS_000954; BSPBio_002515; 5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one; 1-[(2E,4E)-5-(1,3-benzodioxol-5-yl)-2,4-pentadienoyl]piperidine; 1-[(2E,4E)-5-(1,3-benzodioxol-5-yl)penta-2,4-dienoyl]piperidine; Piperine; 5-(1,3-benzodioxol-5-yl)-1-piperidin-1-yl-penta-2,4-dien-1-one; Piperidine,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]-; KBioGR_001235; (2E,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidino-penta-2,4-dien-1-one; NSC 242267; AC1LU7IP; SDCCGMLS-0066693.P001; AI3-01439; NSC 21727; Isopiperine; KBio2_000803; Piperidine, 1-(5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)-; (2E,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-yl-penta-2,4-dien-1-one; CHEBI:28821; ST5307921; 30511-76-3; NSC-242267; SPECTRUM1500873; EINECS 202-348-0 |
C17H19NO3 |
285.338 |
c12c(OC([H])([H])O1)c([H])c([H])c(\C([H])=C([H])\C([H])=C([H])\C(=O)N3C([H])([H])C([H])([H])C([H])([H])C([H])([H])C3([H])[H])c2[H] |
TCMBANKIN036888 |
Pinocembrin |
Spectrum5_000349; KBio3_002549; AIDS014893; (R)-5,7-Dihydroxy-2-phenylchroman-4-one; NCGC00017205-02; SDCCGMLS-0066749.P001; ZB000598; SpecPlus_000896; (-)-pinocembrin; pinocembrine; (2S)-5,7-dihydroxy-2-phenyl-4-chromanone; Spectrum_001879; AKOS030254805; KBio2_004969; URFCJEUYXNAHFI-CYBMUJFWSA-N; NCGC00017205-01; Spectrum3_001635; 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-phenyl-, (S)-(-)-; ST023293; 5,7-Dihydroxyflavanone; BSPBio_003329; ZINC00073693; 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-phenyl-, (2R)-; (S)-2,3-Dihydro-5,7-dihydroxy-2-phenyl-4H-1-benzopyran-4-one; AK582703; 206660-42-6; KBio2_007537; NCGC00142377-01; (2S)-5,7-dihydroxy-2-phenylchroman-4-one; TNP00071; Pinocembrin (6CI); NSC 279005; (2R)-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one; SCHEMBL10080882; Oprea1_508274; (R)-PINOCEMBRIN; DivK1c_006992; (2R)-5,7-dihydroxy-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one; A836234; SPBio_001859; Spectrum2_001670; AIDS-014893; KBioSS_002406; KBio2_002401; CTK0J0172; AC1LDIB9; (2R)-5,7-bis(oxidanyl)-2-phenyl-2,3-dihydrochromen-4-one; N2094; NSC 661207; (2R)-5,7-dihydroxy-2-phenylchroman-4-one; ZINC4935; BDBM26666; 480-39-7; KBioGR_002249; DTXSID30349853; CHEMBL399249; pinocembrin; ST024705; C09827; KBio1_001936; (R)-5,7-dihydroxyflavanone; (2S)-5,7-dihydroxy-2-phenyl-chroman-4-one; (2R)-5,7-DIHYDROXY-2-PHENYL-2,3-DIHYDRO-1-BENZOPYRAN-4-ONE; NSC 43318; Spectrum4_001765 |
C16H14O4 |
270.28 |
c1([H])c([H])c([H])c([C@@]2([H])Oc(c([H])c(C([H])([H])O[H])c([H])c3O[H])c3C(=O)C2([H])[H])c([H])c1[H] |
TCMBANKIN036901 |
myristic acid |
1-Tridecanecarboxylic acid; Myristinsaeure; CH3-[CH2]12-COOH; 70079_FLUKA; AI3-15381; LMFA01010014; CH3-[CH2]12-COO(-); NCGC00091068-02; Myristic acid-[9,10-3H]; C06424; Emery 655; myristic acid ; NSC 5028; 70082_FLUKA; C14 fatty acid; ST023797; W276405_ALDRICH; CCRIS 4724; Kortacid 1499; 3uev; TUNFSRHWOTWDNC-UHFFFAOYSA-M; Tetradecanoic acid; EINECS 250-924-5; n-Tetradecoic acid; 4-02-00-01126 (Beilstein Handbook Reference); Hydrofol acid 1495; MYR; BRN 0508624; Myristate; Myristic acid (natural); Tetradecanoate; LS-190125; Crodacid; Myristic acid (8CI); EINECS 208-875-2; Prifac 2942; Myristic acid; AIDS002505; tetradecoate; W276413_ALDRICH; FEMA No. 2764; HSDB 5686; Philacid 1400; CHEBI:28875; Edenor C 14; n-tetradecoate; 45184-05-2; myristicacid; tetradecoic acid; n-Tetradecanoic acid; M3128_SIGMA; AIDS-002505; Univol U 316S; Lead dimyristate; AC1N2PSK; NCGC00091068-01; neo-Fat 14; NSC5028; Tetradecanoic acid (9CI); Hystrene 9014; Myristic acid, pure; M4792_SIGMA; CHEBI:30807; n-Tetradecan-1-oic acid; WLN: QV13; 1-tetradecanecarboxylate; 32112-52-0; n-tetradecan-1-oate; 544-63-8 |
C14H28O2 |
228.371 |
C([H])([H])(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(O[H])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H] |
TCMBANKIN037120 |
piperanine |
trans-5-(3,4-methylenedioxyphenyl)-2-pentenoic acid piperidide; (E)-5-(1,3-benzodioxol-5-yl)-1-(1-piperidyl)pent-2-en-1-one; SCHEMBL15159492; ZINC1714287; 23512-46-1; Da,b-Dihydropiperine; NSC125180; NSC-125180; 2-Penten-1-one, 5-(1,3-benzodioxol-5-yl)-1-(1-piperidinyl)-, (2E)-; SMR001397304; Piperanin; AC1NSZOK; (2E)-5-(2H-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)pent-2-en-1-one; b-Hydropiperylpiperidine; MLS002473216; 1-[5-(1,3-Benzodioxol-5-yl)-1-oxo-2-pentenyl]piperidine; AC1Q5K4G; 5-(1,3-benzodioxol-5-yl)-1-(1-piperidyl)pent-2-en-1-one; (E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-yl-pent-2-en-1-one; ACon1_000146; QHWOFMXDKFORMO-XVNBXDOJSA-N; 4,5-Dihydroxypiperine; BDBM50415870; NP-000505; NCGC00180838-01; (E)-5-(1,3-benzodioxol-5-yl)-1-piperidino-pent-2-en-1-one; 1-[5-(3,4-Methylenedioxyphenyl)-2-pentenoyl]piperidine; (E)-5-(benzo[d][1,3]dioxol-5-yl)-1-(piperidin-1-yl)pent-2-en-1-one; Piperidine, 1-[5-(1,3-benzodioxol-5-yl)-1-oxo-2-pentenyl]-, (E)-; 65937-41-9; Delata-Alpha,Beta-Dihydropiperine; BRD-K72444591-001-01-1; (E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpent-2-en-1-one; piperanine; AKOS030555239; 5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpent-2-en-1-one; 5-(1,3-benzodioxol-5-yl)-1-piperidin-1-yl-pent-2-en-1-one; Piperidine, 1-(5-(1,3-benzodioxol-5-yl)-1-oxo-2-pentenyl)-, (E)-; 5-(1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)pent-2-en-1-one; CHEMBL256218; Piperanine, >=95% (LC/MS-ELSD); MolPort-001-740-383; MEGxp0_000204; Dalpha,Beta-Dihydropiperine; Piperidine, 1-[5-[3,4-(methylenedioxy)phenyl]-2-pentenoyl]-, (E)-; MCULE-5426651801; AK585636; NCGC00180838-02!(E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpent-2-en-1-one; 5-(Benzo[d][1,3]dioxol-5-yl)-1-(piperidin-1-yl)pent-2-en-1-one; Piperidine, 1-[(2E)-5-(1,3-benzodioxol-5-yl)-1-oxo-2-pentenyl]-; 5-(1,3-benzodioxol-5-yl)-1-piperidino-pent-2-en-1-one; 5-(3,4-Methylenedioxyphenyl)-2-pentenoic acid piperidide; HMS2270O08 |
C17H21NO3 |
287.354 |
C1([H])([H])Oc(c([H])c([H])c(C([H])([H])C([H])([H])\C([H])=C([H])\C(=O)N2C([H])([H])C([H])([H])C([H])([H])C([H])([H])C2([H])[H])c3[H])c3O1 |
TCMBANKIN037131 |
ononin |
4H-1-Benzopyran-4-one, 7-(beta-D-glucopyranosyloxy)-3-(4-methoxyphenyl)-; MEGxp0_000395; 3-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one; LMPK12050014; 486-62-4; 3-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one; 3-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone; Formononetin glucoside; STOCK1N-14986; 75375_FLUKA; 3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside; ACon1_000463; ZINC01081322; 3-(4-methoxyphenyl)-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-chromenone; CHEBI:7775; 3-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one; Ononin; C10509; Formononetin 7-O-glucoside; Formononetin-7-O-beta-D-glucopyranoside; Formononetin-7-glucoside |
C22H22O9 |
430.405 |
[C@@]1([H])(O[H])[C@]([H])(C([H])([H])O[H])O[C@]([H])(Oc2c([H])c([H])c(C(=O)C(c3c([H])c([H])c(OC([H])([H])[H])c([H])c3[H])=C([H])O4)c4c2[H])[C@@]([H])(O[H])[C@]1([H])O[H] |
TCMBANKIN037813 |
genistein |
BSPBio_002375; Lopac-G-6649; NCGC00015479-02; K00046; Genisteol; Spectrum_000320; NCGC00025005-01; Sophoricol; KBio2_003368; 4,6,7-Trihydroxyisoflavone; SMR000112580; SIPI 807-1; KBio2_007700; 5,7,4'-Trihydroxyisoflavone; Spectrum4_001543; GEN; NCGC00025005-04; Lopac0_000520; AIDS097204; 5,7-Dihydroxy-3-(4-hydroxyphenyl)-4-benzopyrone; 5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one; Spectrum5_000106; Bio1_001423; NCGC00025005-05; NSC 36586; NCGC00025005-02; 4′,5,7-Trihydroxyisoflavone; Differenol A; NPI 031L; ACon1_001065; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(4-hydroxyphenyl)-; Bio1_000934; NCI60_003369; UPCMLD-DP096:001; NCGC00015479-01; genistein ; Spectrum2_000638; KBio2_002564; nchembio.76-comp6; G6776_SIGMA; DivK1c_006401; 5-18-04-00594 (Beilstein Handbook Reference); cMAP_000086; EU-0100520; 5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-olate; Tocris-1110; CHEBI:74224; KBioGR_002006; Bio1_000445; BRN 0263823; 446-72-0; MEGxp0_000568; Oprea1_437815; SMP1_000133; KBio1_001345; 5,7-DIHYDROXY-3-(4-HYDROXYPHENYL)-4H-1-BENZOPYRAN-4-ONE; Lactoferrin-genistein; SPECTRUM210296; 4',5, 7-trihydroxyisoflavone; NSC36586; EINECS 207-174-9; CHEBI:28088; Oprea1_224620; AIDS-097204; 4',5,7-Trihydroxyisoflavone; C06563; KBio3_003042; SPBio_000636; genistein(1-); KBio2_000800; 4′,5,7-Trihydroxyisoflavone; G6649_SIGMA; Prunetol; KBioGR_002564; C.I. 75610; KBioSS_000800; Genistein; TNP00151; CCRIS 7675; MolMap_000022; KBio2_005132; KBio3_001595; ZINC00041692; AIDS016499; ST056352; SpecPlus_000305; Isoflavone, 4',5,7-trihydroxy-; 4',5,7-Trihydroxy isoflavone; STO514; 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one; KBioSS_002573; KBio2_005936; Genistein; 4',5,7-Trihydroxyisoflavone; Spectrum3_000678; PTI G4660; AIDS-016499; nchembio.2007.28-comp32; Genisterin; NCGC00025005-07; MLS000738127 |
C15H10O5 |
270.24 |
C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O |
TCMBANKIN037869 |
Genistein 8-C-glucoside |
5,7-dihydroxy-3-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]-4-chromenone; 5,7-dihydroxy-3-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]chromone; C10420; SCHEMBL4743882; 5,7-dihydroxy-3-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one; 5,7-dihydroxy-3-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-one; 66026-80-0; LMPK12050163; genistein 8-c-glucoside |
C21H20O10 |
432.38 |
C1=CC(=CC=C1C2=COC3=C(C2=O)C(=CC(=C3C4C(C(C(C(O4)CO)O)O)O)O)O)O |
TCMBANKIN038032 |
formononetin |
Oprea1_815287; AIDS027672; 7-hydroxy-3-(4-methoxyphenyl)-4H-benzopyran-4-one; Isoflavone, 7-hydroxy-4'-methoxy- (8CI); NCI60_042081; NCGC00095207-03; Oprea1_139748; NCIOpen2_005983; SDCCGMLS-0066428.P001; CHEBI:18088; TNP00176; 485-72-3; Formononetol; Isoflavone, 7-hydroxy-4'-methoxy-; 7-hydroxy-3-(4-methoxyphenyl)chromone; Spectrum2_000560; Formononetin; NSC 93360; EINECS 207-623-9; 47752_FLUKA; KBio2_000853; 7-Hydroxy-3-(4-methoxyphenyl)-4-benzopyrone; Spectrum5_000258; KBio3_001519; NSC93360; KBioSS_000853; Spectrum_000373; SPECTRUM102007; KBio2_005989; Biochanin B; KBioGR_001878; NCGC00017269-01; 7-Hydroxy-3-(4′-methoxyphenyl)-4H-benzopyran-4-one; formononetin ; 7-hydroxy-4'-methoxy-isoflavone; BSPBio_002299; ZINC00113304; 4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-methoxyphenyl)- (9CI); SBB016445; Spectrum3_000660; 7-hydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one; Spectrum4_001429; DivK1c_006319; KBio2_003421; SPBio_000639; NCGC00095207-01; KBio1_001263; AIDS-027672; 7-Hydroxy-4'-methoxyisoflavone; C00858; 4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-methoxyphenyl)-; NCGC00095207-02; SpecPlus_000223 |
C16H12O4 |
268.264 |
C1([H])=C(c2c([H])c([H])c(OC([H])([H])[H])c([H])c2[H])C(c3c(O1)c([H])c(O[H])c([H])c3[H])=O |
TCMBANKIN038043 |
1-Terpinen-5-ol |
|
|
|
|
TCMBANKIN038565 |
pipercycliamide |
|
|
|
CCCCCC(=O)C1(CCC(=O)N1CC(C)C)O |
TCMBANKIN039806 |
Sarmentosine |
4CN-1777; (Z)-2-methylol-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-but-2-enenitrile; (Z)-2-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-but-2-enenitrile; (Z)-2-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-but-2-enenitrile; 2-Butenenitrile, 4-(beta-D-glucopyranosyloxy)-2-(hydroxymethyl)-, (E)-; (Z)-2-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-2-enenitrile; AC1O5Q6P; (Z)-2-(hydroxymethyl)-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]but-2-enenitrile; AKOS032948571; Sarmentosine |
|
275.25 g/mol |
|
TCMBANKIN040042 |
sissotrin |
|
C22H22O10 |
446.404 |
C1(c2c([H])c([H])c(OC([H])([H])[H])c([H])c2[H])=C([H])Oc(c([H])c(O[C@@]3([H])O[C@@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]3([H])O[H])c([H])c4O[H])c4C1=O |
TCMBANKIN041064 |
glycitin |
glycitin; 3-(4-hydroxyphenyl)-6-methoxy-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-chromenone; 40246-10-4; 3-(4-hydroxyphenyl)-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one; 3-(4-hydroxyphenyl)-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone; C16195; 3-(4-hydroxyphenyl)-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one; glycitin ; Glycitein 7-O-glucoside; 3-(4-hydroxyphenyl)-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one |
C22H22O10 |
446.404 |
C([H])([H])([H])Oc1c([H])c(C(C(c2c([H])c([H])c(O[H])c([H])c2[H])=C([H])O3)=O)c3c([H])c1O[C@]([H])(O[C@]4([H])C([H])([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]4([H])O[H] |
TCMBANKIN041272 |
stearic acid |
4-02-00-01206 (Beilstein Handbook Reference); AIDS-049230; Emersol 871; 8039-52-9; 126539-56-8; stearic acid, ion(1-); D00119; octadecoic acid; Hydrofol Acid 150 (VAN); 134503-33-6; Fatty acids C16-18; 68937-76-8; Kam 2000; VLZ 200; Lunac S 98; Glycon S-80; Hy-phi 1205; Lunac YA; Pristerene 9429; Pristerene 4900; Octadecanoic acid (9CI); Hystrene 9718NF; Edenor FHTI; Cetylacetic acid; NAA 173; NSC 25956; Lunac S 90; S 30C S 30C (fatty acid); Neo-Fat 18-61; Dar-chem 14; NSC25956; Edenor HT-JG 60; Octadecanoate; 57485-56-0; Oktadekansaeure; S 300 (fatty acid); Unister NAA 180; Industrene 5016; Prisorine 3508; Hydrofol Acid 150; Hystrene 4516; G 270; Stearic Acid Cherry; Century 1230; 822-16-2 (SODIUM SALT); NCGC00091596-02; Glycon S-90; 85404-83-7; NCGC00091596-01; Stearic acid (JP15/NF); Hystrene 5016; Hy-phi 1303; Glycon S-70; C01530; Octadecansaeure; Neo-Fat 18-55; WO 2 (fatty acid); Pristerene 9559; SA 200; Century 1240; Stearic acid, pure; Sunfat 18S; WO 2; CHEBI:28842; Industrene 5016K; LS-2392; Kam 3000; BRN 0608585; Edenor ST 20; AIDS049230; Lunac 30; EINECS 273-087-8; Emersol 150; 175366_SIAL; 8039-54-1; Fatty acids, C16-20; stearicacid; Stearic acid ion(1-)salt; Stearic acid (8CI); Stearinsaeure; Emersol 153NF; Hydrofol acid 1855; 57-11-4; Lunac S 30; Hystrene T 70; Prisorine 3501; Haimaric MKH(R); Stearex Beads; Groco 55; Hystrene S-97; Neo-Fat 18-54; W303518_ALDRICH; Hydrofol acid 1655; Nonsoul SN 1 (*Sodium salt*); EINECS 200-313-4; 39390-61-9; Emersol 120; EPA Pesticide Chemical Code 079082; Lunac S 20; Octadecanoic acid, ion(1-); 8013-28-3; AI3-00909; Kortacid 1895; FEMA No. 3035; Hystrene S 97; 82497-27-6; Tegostearic 254; SNA-2000 (*Sodium salt*); 1-Heptadecanecarboxylic acid; AC1MHWEJ; STL280244; 27405_RIEDEL; Steric acid; Industrene 9018; Glycon dp; F 3 (lubricant); Hy-phi 1401; Lunac S 50; Emersol 132; Stearic acid, ion(1-) (8CI); CH3-[CH2]16-COO(-); acide octadecanoique; Groco 55l; 73297_FLUKA; Serfax MT 90; Stearic acid [USAN:JAN]; 8039-51-8; acide stearique; Kam 1000; Acidum stearinicul; InChI=1/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20; 8039-53-0; 17FA; Stearophanic acid; 8037-83-0; Hystrene 7018; FA 1655; Prisorine 3502; Nonsoul SK 1; Hydrofol Acid 1895; Lunac S 40; Stearic acid 50; 8023-06-1; 85679_FLUKA; HSDB 2000; n-Octadecanoate; 400JB9103-88; Glycon tp; Unimac 5680; Loxiol G 20; Stearate; 875D; Octadecanoic acid; Neo-Fat 18-53; octadecanoate (n-C18:0); Radiacid 0427; Emery 871; Vanicol; Vis-Plus; PD 185; EINECS 250-178-0; AKOS022105769; 646-29-7; Edenor ST 1; S 300; Caswell No. 801D; Selosol 920; Tegostearic 272; Isostearic acid EX; A 1760; WLN: QV17; Stearic acid (TN); Pearl stearic; 609343-71-7; Palmitic acid - stearic acid mixture; Emersol 875; Industrene 8718; Hystrene 9718NFFG; NCGC00164255-02; ST023799; LMFA01010018; Groco 54; Edenor C18; Hystrene T-70; Hy-phi 1199; CTK8J8420; n-Octadecanoic acid; Groco 58; Pristerene 4963; Formula 300; AFCO-Chem B 65; CCRIS 2305; Industrene R; Century 1220; S4751_SIGMA; Neo-Fat 18; 58392-66-8; Barolub FTA; Hystrene 9718; CH3-[CH2]16-COOH; STE; 8037-40-9; 30399-84-9; Lunac S 90KC; Hydrofol 1895; Emery 875D; Century 1210; QIQXTHQIDYTFRH-UHFFFAOYSA-M; Neo-Fat 18-59; LS-1388; Groco 59; Humko Industrene R; Hystrene 80; Adeka Fatty Acid SA 910; Stearic acid; Prifac 2918; Emersol 6349; Edenor C 18/98; 3uex; LS-97707; CHEBI:25629; Neo-Fat 18-S; Stearic acid - palmitic acid mixture; Tegostearic 255; C-Lube 10 |
C18H36O2 |
284 |
C([H])([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(O[H])=
O |
TCMBANKIN041429 |
1-[1-Oxo-3(3,4-methylenedioxyphenyl)propyl]piperidine |
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TCMBANKIN041659 |
genistin |
4′,5,7-Trihydroxyisoflavone 7-glucoside; ACon1_001495; Genistein-7-O-beta-D-glucopyranoside; genistein 7-O-beta-D-glucopyranoside; 4H-1-Benzopyran-4-one, 7-(beta-D-glucopyranosyloxy)-3-(4-hydroxyphenyl)-; 5-hydroxy-3-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone; CHEBI:27514; 5-hydroxy-3-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one; genistein 7-O-glucoside; SCHEMBL241743; 4',5,7-trihydroxyisoflavone 7-D-glucoside; 5-hydroxy-3-(4-hydroxyphenyl)-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-chromenone; G0897_SIGMA; genistin ; Genistein, 7-beta-D-glucopyranoside; NSC 5112; Genistin; 529-59-9; 5-hydroxy-3-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one; 4H-1-Benzopyran-4-one, 7-(beta-D-glucopyranosyloxy)-5-hydroxy-3-(4-hydroxyphenyl)- (9CI); Genistein, 7-O-beta-D-glucoside; Genistin (8CI); 5-hydroxy-3-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one; 5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside; BRN 0064479; LMPK12050166; C09126; 4-18-00-02732 (Beilstein Handbook Reference); Glucopyranoside, genistein-7, beta-D-; Prevention 10 (soy isoflavone concentrate); Genistine; MEGxp0_000436; 48756_FLUKA; NCGC00163559-01; Genistein 7-O-beta-D-glucoside |
C21H20O10 |
432.38 |
C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)OC4C(C(C(C(O4)CO)O)O)O)O |
TCMBANKIN041934 |
Pipercide |
|
|
355.47 |
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TCMBANKIN042399 |
Sophoradiol |
|
|
442.72 |
|
TCMBANKIN043270 |
p-Coumaric acid |
CHEBI:32373; Para-Coumaric acid; ZB001183; trans-4-Hydroxycinnamic acid; (E)-3-(4-Hydroxyphenyl)-2-propenoic acid; 2-propenoic acid, 3-(4-hydroxyphenyl)-, (2E)-; Naringeninic acid; p-Cumaric acid; CHEBI:36090; p-Coumaric acid,trans; 501-98-4; (E)-3-(4-hydroxyphenyl)acrylic acid; trans-4-coumarate; 4'-Hydroxycinnamic acid; 4-(2-Carboxyethenyl)phenolate; HC4; trans-4-hydroxycinnamate; trans-p-Coumarinic acid; 4-hydroxycinnamate anion; 3-(4-hydroxyphenyl)acrylic acid; (2E)-3-(4-hydroxyphenyl)prop-2-enoic acid; 3-(4-hydroxyphenyl)prop-2-enoate; trans-p-Hydroxycinnamic acid; (E)-3-(4-hydroxyphenyl)prop-2-enoate; (E)-p-Hydroxycinnamic acid; 3-(4-hydroxyphenyl)acrylate; trans-4-coumaric acid; trans-p-Coumaric acid; (2E)-3-(4-hydroxyphenyl)acrylate; 4-10-00-01005 (Beilstein Handbook Reference); C00811; (2E)-3-(4-hydroxyphenyl)acrylic acid; BRN 2207383; CHEBI:12876; beta-(4-Hydroxyphenyl)acrylic acid; Para coumaric acid; COUMARATE; MLS001066419; 28200_FLUKA; p-Hydroxyphenylacrylic acid; Cinnamic acid, p-hydroxy-; 4-Coumaric acid; InChI=1/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12; 7400-08-0; beta-[4-hydroxyphenyl]acrylic acid; A828008; p-coumaricacid; SBB007613; 4-Hydroxycinnamate; Cinnamic acid, p-hydroxy-, (E)-; SMR000112201; 0-10-00-00297 (Beilstein Handbook Reference); CINNAMIC ACID,4-HYDROXY P-COUMARIC ACID; (E)-p-Coumaric acid; AIDS027710; CJ-00262; (2E)-3-(4-hydroxyphenyl)prop-2-enoate; 2-Propenoic acid, 3-(4-hydroxyphenyl)-; ZINC00039811; .beta.-[4-Hydroxyphenyl]acrylic acid; p-coumaric acid ; AC1NRBN2; InChI=1/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3; trans-p-coumarate; (E)-3-(4-hydroxyphenyl)prop-2-enoic acid; 4-Oxylatocinnamate; p-Hydroxycinnamic acid; HYDROXYCINNAMIC ACID; EINECS 231-000-0; BRN 2207381; NSC 674321; Enamine_005378; 4-Hydroxycinnamic acid; CHEBI:32374; NSC674321; AIDS-027710; 2-Propenoic acid, 3-(4-hydroxyphenyl)-, (E)- (9CI); NSC59260; p-coumarate; (E)-3-(4-hydroxyphenyl)-2-propenoate; C9008_SIGMA; 3-(4-Hydroxyphenyl)-2-propenoic acid; 3-(4-hydroxyphenyl)prop-2-enoic acid; 4-coumarate; NSC 59260 |
C9H8O3 |
164.158 |
c1([H])c([H])c(O[H])c([H])c([H])c1\C([H])=C([H])\C(=O)O[H] |
TCMBANKIN043473 |
daidzin |
Daidzin; 1329-08-4; Daidzoside; 3-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one; 30408_FLUKA; MEGxp0_000530; C10216; LMPK12050013; Daidzein-7-O-beta-D-glucopyranoside; 7-(beta-D-Glucopyranosyloxy)-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; NCGC00163532-01; BRN 0059741; 3-(4-hydroxyphenyl)-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-chromenone; SCHEMBL14477668; 3-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one; Daidzein 7-glucoside; 552-66-9; 7-O-B-D-GLUCOPYRANOSIDE; CHEBI:42202; daidzein 7-O-beta-D-glucoside; 4-18-00-01808 (Beilstein Handbook Reference); Daidzein-7-glucoside; 28572-56-7; 3-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one; ACon1_002092; nchembio.2007.28-comp34; 3-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone; 7-(beta-D-glucopyranosyloxy)-3-(4-hydroxyphenyl)-4H-chromen-4-one; DZN; daidzin ; Daidzein 7-O-glucoside |
C21H20O9 |
416.378 |
C1([H])=C(c2c([H])c([H])c(O[H])c([H])c2[H])C(c3c(O1)c([H])c(O[C@]([H])(O[C@]4([H])C([H])([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]4([H])O[H])c([H])c3[H])=O |
TCMBANKIN043752 |
sesquisabinene |
CTK8J4569; 58319-04-3; 1-(6-methylhept-5-en-2-yl)-4-methylidenebicyclo[3.1.0]hexane; Sesquisabinene isomer; 1-(1,5-Dimethyl-4-hexenyl)-4-methylenebicyclo[3.1.0]hexane, 9CI; (1R,5R)-4-Methylene-1-((R)-6-methylhept-5-en-2-yl)bicyclo[3.1.0]hexane, (relative configuration); DYUSFBWNOCHOFP-UHFFFAOYSA-N |
C15H24 |
204.35 |
CC(CCC=C(C)C)C12CCC(=C)C1C2 |
TCMBANKIN044183 |
irisolidone |
5,7-dihydroxy-6-methoxy-3-(4-methoxyphenyl)-4-chromenone; Irisolidone; 5,7-dihydroxy-6-methoxy-3-(4-methoxyphenyl)chromone; 2345-17-7; C10471; 5,7-dihydroxy-6-methoxy-3-(4-methoxyphenyl)chromen-4-one |
C17H14O6 |
314.29 |
COC1=CC=C(C=C1)C2=COC3=C(C2=O)C(=C(C(=C3)O)OC)O |
TCMBANKIN044719 |
Piperamine |
ZINC987; 4945-47-5; Bamipinum [INN-Latin]; 61732-85-2 (di-hydrochloride); 1229-69-2 (mono-hydrochloride); bamipine citrate; AC1Q4TRO; API0000415; Bamipine; 4-Piperidinamine, 1-methyl-N-phenyl-N-(phenylmethyl)-; AKOS015960825; Y6BHZ28O92; D07197; Bamipinum; bamipine monohydrochloride; CHEBI:135165; DSSTox_RID_97425; 4-(N-Benzyl-N-phenylamino)-1-methylpiperidine; AK327087; N-benzyl-1-methyl-N-phenylpiperidin-4-amine; DTXSID5057751; Piperamine; LS-114300; Soventol; N-Phenyl-N-benzyl-4-amino-1-methyl-piperidine; Piperidine, 4-(N-benzyl-N-phenylamino)-1-methyl-; 1-Methyl-N-phenyl-N-(phenylmethyl)-4-piperidinamine; Bamipina; 4-(N-Benzylanilino)-1-methylpiperidine; MFCD00797515; N-Benzyl-1-methyl-N-phenyl-4-piperidinamine #; AC1L2HD7; Bamipina [INN-Spanish]; BRN 0252193; taumidrine; CAS-4945-47-5; bamipin; VZSXTYKGYWISGQ-UHFFFAOYSA-N; EINECS 225-587-2; N-Phenyl-N-benzyl-4-amino-1-methyl-piperidin [German]; 61670-09-5 (lactate); NCGC00253769-01; Bamipine (INN); Bamipine [INN:BAN:DCF]; SCHEMBL29626; CHEMBL520400; UNII-Y6BHZ28O92; N-Phenyl-N-benzyl-4-amino-1-methyl-piperidin; ACM4945475; Tamidrine; DSSTox_GSID_57751; Tox21_113882; DSSTox_CID_31540; 5-22-08-00036 (Beilstein Handbook Reference); bamipine dihydrochloride hydrate; Bamipine dihydrochloride |
|
280.4 g/mol |
|
TCMBANKIN044727 |
salicylic acid |
3320-EP2298732A1; D00097; CCRIS 6714; 3320-EP2287148A2; 3320-EP2298735A1; o-Hydroxybenzoate anion; Trans-Ver-Sal; Verrugon; CHEBI:30762; STK258681; 2y7w; salicylate; BBL000698; 3320-EP2305260A1; 3320-EP2311796A1; K 537; Keralyt; AC1L1JPL; Salicylate anion; 3320-EP2301534A1; Orthohydroxybenzoic acid; 3320-EP2292595A1; o-hydroxybenzoic acid; Salicylate ion; 3320-EP2298777A2; ACS No 10; Ionil; 3320-EP2289871A1; Salicylic acid [USAN:JAN]; 3320-EP2298748A2; SMR000059163; AC1Q5BFS; o-Carboxyphenol; NCGC00178624-02; 3320-EP2269991A2; 25496-36-0; 3320-EP2292614A1; 3320-EP2311451A1; Salicylic acid; YGSDEFSMJLZEOE-UHFFFAOYSA-M; 3320-EP2284179A2; Benzoic acid, 2-hydroxy-; 3320-EP2287150A2; MLS000069653; 3320-EP2301912A2; CHEBI:16914; Ionil-Plus; Salicylic acid & Sulfur Soap; 3320-EP2305637A2; 3320-EP2298743A1; 3320-EP2284151A2; 54-21-7 (SODIUM SALT); AB00053542_03; Salicylic acid collodion; Kyselina 2-hydroxybenzoova [Czech]; Salicylic acid (6CI,8CI); AIDS-006789; 3320-EP2295416A2; KBio2_003996; 2-hydroxy-benzoate; Dr. Scholl's Corn Removers; 3320-EP2284152A2; Advanced Pain Relief Corn Removers; 3320-EP2284156A2; NCGC00159447-02; 3320-EP2316835A1; 3320-EP2295413A1; 3320-EP2308863A1; 3320-EP2292593A2; 3320-EP2305671A1; AIDS006789; Duofil Wart Remover; 2-Hydroxybenzoic acid; 3gf2; InChI=1/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10; 3320-EP2269985A2; C00805; 3twp; 3320-EP2311798A1; 3320-EP2275420A1; hydroxybenzoate; WLN: QVR BQ; Salonil; S7401_SIGMA; NSC 180; Salicylic acid (JP15/USP); 3320-EP2301927A1; 3198-EP2289876A1; 3320-EP2316470A2; NCGC00178624-03; Saligel; 2-HYDROXYPHENYLFORMATE; salicylicacid; CPD-110; 3320-EP2284150A2; Spectrum_000948; EPA Pesticide Chemical Code 076602; 3320-EP2284164A2; 3320-EP2295550A2; SMP2_000145; Acidum salicylicum; CAS_54-21-7; Dr. Scholl's Callus Removers; Stri-Dex; ZB000360; SAL; o-Hydroxybenzoate; 3320-EP2280008A2; Clear away Wart Remover; 3320-EP2295432A1; S8519_SIGMA; CTK5I4917; CJ-00055; Salicylic acid, tech.; Salicylic acid soap; 3320-EP2269978A2; 2-Hydroxybenzoate (Na+); Benzoic acid, 2-hydroxy-, ion(1-); SGCUT00012; Duoplant; Freezone; 3320-EP2284155A2; Occlusal; 3320-EP2284178A2; 3320-EP2301914A1; 3320-EP2311825A1; MFCD00984876; Psoriacid-S-Stift; 3320-EP2301913A1; Rutranex; IDI1_000301; 3320-EP2314578A1; 2-Hydroxybenzenecarboxylic acid; 3320-EP2298765A1; 3320-EP2308832A1; MolPort-003-710-545; 8052-31-1; o-Hydrobenzoate; Retarder W; Salicylic acid-ring-UL-14C; 2y7k; Duofilm; o-Hydrobenzoic Acid; NSC_5900; EINECS 200-712-3; NCGC00159447-04; BDBM85513; 3320-EP2295419A2; 3320-EP2314295A1; STK372903; 63-36-5; 3320-EP2311835A1; DivK1c_000301; 2-Hydroxybenzoic acid ion(1-); 3320-EP2316450A1; 3320-EP2277875A2; Dr. Scholl's Wart Remover Kit; 105910_ALDRICH; HSDB 672; 69-72-7; 3320-EP2311842A2; 2y7p; 3320-EP2284153A2; AI3-02407; 3320-EP2272847A1; 7681-06-3; Phenol-2-carboxylic acid; AKOS005447222; 3198-EP2298777A2; Ionil Plus; KBioSS_001428; 3320-EP2301916A2; T7104; 3320-EP2284170A1; 3320-EP2298764A1; Caswell No. 731; 2-Oxylatobenzoate; 84210_FLUKA; KBio1_000301; 3320-EP2311799A1; BENZOIC ACID,2-HYDROXY SALICYLIC ACID; to_000004; Compound w; 3320-EP2275102A1; 3320-EP2311797A1; 2-Hydroxybenzoate; Kyselina salicylova [Czech]; S5922_SIGMA; 3320-EP2287140A2; 2-Hydroxybenzoic acid anion; 3320-EP2305688A1; 3320-EP2305243A1; UPCMLD-DP126:001; 3320-EP2295412A1; 27301_SIAL; Salicylic acid, ion(1-); 3320-EP2292590A2; 3320-EP2277876A1; W398500_ALDRICH; Oprea1_040343; KBio2_006564; Salicylic acid (TN); Sebucare; 2-Carboxyphenol; Benzoic acid, 2-hydroxy- (9CI); Acido salicilico [Italian]; KBio2_001428; Acido o-idrossibenzoico [Italian]; Advanced Pain Relief Callus Removers; LS-144344; NINDS_000301; 2-hydroxybenzoic acid; 247588_SIAL; 2-CARBOXYBENZENOLATE; 3198-EP2314295A1; NSC180; Domerine; Sebulex; BRN 0774890; CMC_13852 |
C7H6O3 |
138.12 |
C1=CC=C(C(=C1)C(=O)O)[O-] |
TCMBANKIN044989 |
pipyahyine |
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|
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CC(C)CCNC(=O)C=CC=CCCCCCC=CC1=CC2=C(C=C1)OCO2 |
TCMBANKIN045922 |
indole |
Benzopyrrole; Indol; W259306_ALDRICH; ZINC00895236; INDOLE BENZO-PYRROLE; 783272-65-1; 1H-Indole (9CI); 1H-Indole-1-cation; Benzo[b]pyrrole; 2,3-Benzopyrrole; 2,3-Benzopyrole; NSC 1964; CHEBI:16881; Indole (natural); 1H-Benzo[b]pyrrole; CCRIS 4421; InChI=1/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9; KB-274206; 1H-indol-1-ium; 1H-Indol-1-iumyl; 269077_ALDRICH; NSC1964; 1-Azaindene; SB 00587; 442619_SUPELCO; Ketole; SIKJAQJRHWYJAI-UHFFFAOYSA-O; AC1NC5DJ; INDOLE; AI3-01540; Indol [German]; 57190_FLUKA; 1-Benzo(b)pyrrole; LS-2832; WLN: T56 BMJ; IND; Caswell No. 498B; EINECS 204-420-7; 1-Benzazole; 1H-Indole; EPA Pesticide Chemical Code 025000; FEMA No. 2593; HSDB 599; 120-72-9; Indole (8CI); C00463; I3408_ALDRICH; indolium |
C8H7N |
117.148 |
n1([H])c(c([H])c([H])c([H])c2[H])c2c([H])c1[H] |
TCMBANKIN046171 |
retrofractamide A |
BPSWISYORIWKCT-FCGWLDPVSA-N; CHEMBL255152; RETROFRACTAMIDE A; 94079-67-1; Retrofractamide-A; NP-000509; Retrofractamid-A; (2E,4E,8E)-9-(2H-1,3-benzodioxol-5-yl)-N-(2-methylpropyl)nona-2,4,8-trienamide; SCHEMBL14025730 |
C20H25NO3 |
327.417 |
c1([H])c(\C([H])=C([H])\C([H])([H])C([H])([H])\C([H])=C([H])\C([H])=C([H])\C(=O)N([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])c([H])c([H])c(OC([H])([H])O2)c12 |
TCMBANKIN046641 |
METHYL TRIDECANOATE |
Fatty acids, C1O-16, Me esters; 4-02-00-01118 (Beilstein Handbook Reference); 67762-40-7; NSC163375; Fatty acids, C10-16, Me esters; Methyl n-tridecanoate; BRN 1769695; 1731-88-0; NSC 163375; Tridecanoic acid methyl ester; EINECS 217-054-8; (C10-C16) Alkylcarboxylic acid methyl ester; Tridecanoic acid, methyl ester; T0627_SIGMA; EINECS 267-018-0; 91560_FLUKA; 91558_FLUKA |
C14H28O2 |
228.37 g/mol |
CCCCCCCCCCCCC(=O)OC |
TCMBANKIN046658 |
glycitein |
C14536; 7-Hydroxy-3-(4-hydroxyphenyl)-6-methoxy-4H-1-benzopyran-4-one; ST5331727; 7-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-4-chromenone; 7-hydroxy-3-(4-hydroxyphenyl)-6-methoxychromen-4-one; 4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-; 7-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-chromone; 40957-83-3; 7,4'-Dihydroxy-6-methoxyisoflavone; Glycitein; 7-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-chromen-4-one |
C16H12O5 |
284.263 |
C([H])([H])([H])Oc1c([H])c(C(C(c2c([H])c([H])c(O[H])c([H])c2[H])=C([H])O3)=O)c3c([H])c1O[H] |
TCMBANKIN048657 |
Neopellitorine B |
|
|
235.36 g/mol |
|
TCMBANKIN049172 |
1-(1-oxo-3-phenyl-2e-propenyl)piperidine |
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|
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C1CCN(CC1)C(=O)C=CC2=CC=CC=C2 |
TCMBANKIN049487 |
Pipnoohine |
|
|
361.6 g/mol |
|
TCMBANKIN057949 |
sucrose |
Amerfand; 29253-78-9; Sucrose (TN); alpha-D-Glucopyranoside, beta-D-fructofuranosyl-; saccharose; Sugar, compressible (NF); S0389_SIGMA; D06530; C00089; 1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside; Sucrose, purified; 8027-47-2; 30027-72-6; 29764-06-5; 86101-30-6; NSC 406942; D06529; Sucrose [USAN:JAN]; 146187-04-4; ST5308554; Sugar, confectioner's; D(+)-Saccharose; S7903_SIGMA; GLC-(1-2)FRU; alpha-D-glucopyranosyl beta-D-fructofuranoside; FICOLL; 151756-02-4; Sugar spheres (NF); White soft sugar (JP15); Sucraloxum [INN-Latin]; Saccharum; alpha-D-Glc-(1-2)-beta-D-Fru; S9378_SIGMA; 76056-38-7; 47289_SUPELCO; D-Sucrose; Sugar spheres; 87430-66-8; 104242-10-6; (alpha-D-Glucosido)-beta-D-fructofuranoside; Table sugar; Sacharose; (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol; NCI-C56597; 47167-52-2; CCRIS 2120; alpha-D-Glucopyranoside, beta-D-fructofuranosyl, homopolymer; D06528; Microse; Cane sugar; Amerfond; 64533-66-0; White soft sugar; beta-D-Fruf-(2<->1)-alpha-D-Glcp; sugar; White sugar; SUC; 84097_FLUKA; Rock candy; beta-D-Fructofuranosyl-alpha-D-glucopyranoside; Fructofuranoside, alpha-D-glucopyranosyl, beta-D; 80165-03-3; 47257-91-0; CHEBI:17992; 47185-09-1; S5390_SIGMA; alpha-D-Glucopyranoside, beta-D-fructofuranosyl; S1888_SIGMA; 220376-22-7; D06533; 8030-20-4; S3929_SIGMA; S1174_SIGMA; 65545-99-5; Glucopyranoside, beta-D-fructofuranosyl, alpha-D; S2395_SIGMA; 78654-77-0; D06531; (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol; SUCROSE; S5016_SIAL; 51909-69-4; 85456-51-5; D()-Saccharose; ZINC04217475; 84100_FLUKA; D00025; Confectioner's sugar; EINECS 200-334-9; Sugar, confectioner's (NF); 57-50-1; 100405-08-1; 92004-84-7; Beet sugar; S5391_SIGMA; Sucrose, dust; alpha-D-Glc-(1->2)-beta-D-Fru; beta-D-Fructofuranosyl alpha-D-glucopyranoside; 131932-12-2; HSDB 500; Sugar, compressible; AI3-09085; alpha-D-Glucopyranosylbeta-D-fructofuranoside; Rohrzucker; 16104_RIEDEL; (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-dimethylol-tetrahydrofuran-2-yl]oxy-6-methylol-tetrahydropyran-3,4,5-triol; Granulated sugar; S8501_SIGMA; Sucrose, purified (JAN); 146054-35-5; Sucrose (JP15/NF); 9012-95-7; Sucrose, pure; 75398-84-4; 50857-68-6; (2R,3R,4S,5S,6R)-2-[[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)-2-tetrahydrofuranyl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol; 25702-74-3; D(+)-Sucrose |
C12H22O11 |
342.3 g/mol |
C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O)O |
TCMBANKIN058015 |
1(7),8(10)-p-menthadien-9-ol |
1-(4-methylidenecyclohexyl)ethenol; AC1NSXYP;1-(4-methylidenecyclohexyl)ethenol; 1(7),8(10)-p-Menthadien-9-ol;2-(4-Methylenecyclohexyl)-2-propen-1-ol; 2-(4-methylidenecyclohexyl)prop-2-en-1-ol; 2-(4-methylenecyclohexyl)prop-2-en-1-ol; 29548-13-8; p-Mentha-1(7),8(10)-dien-9-ol;p-Mentha-1(7),8(10)-dien-9-ol;BETA,4-BIS(METHYLENE)CYCLOHEXANEETHANOL;p-mentha-1(7),8(10)-dien-9-ol;1-(4-methylenecyclohexyl)ethenol |
C10H16O |
152.23 g/mol |
C=C1CCC(CC1)C(=C)CO |
TCMBANKIN058041 |
chavicol |
Phenol,4-(2-propen-1-yl)-; Phenol, p-allyl- (8CI); I14-56356; .gamma.-(p-Hydroxyphenyl)-.alpha.-propylene; alpha -propylene; AC1Q7A4U; 3-(p-Hydroxyphenyl)-1-propene; LS-167638; 4-Allylphenol; p-Chavicol; EINECS 207-929-2; NSC-290195; laquo gammaRaquo -(p-hydroxyphenyl)-alpha -propylene; MFCD01940501; SCHEMBL30870; W-4067; AKOS006278514; p-Allylphenol; KS-000009EP; NSC290195; AB0197728; 501A928; CCRIS 3208; MCULE-8960123940; 4-(2-propenyl)-phenol; RGIBXDHONMXTLI-UHFFFAOYSA-; 4-(Prop-2-enyl)-phenol; CHEBI:50158; CHEMBL108862; InChI=1/C9H10O/c1-2-3-8-4-6-9(10)7-5-8/h2,4-7,10H,1,3H2; CHAVICOL; Phenol, 4-(2-propenyl)-; p-Allyl-Phenol; AN-21426; p-Hydroxyallylpropene; NSC 290195; ZINC1565456; RGIBXDHONMXTLI-UHFFFAOYSA-N; Phenol, 4-(2-propenyl)- (9CI); UNII-T5721BH5Z4 component RGIBXDHONMXTLI-UHFFFAOYSA-N; KB-239888; AC1L294Y; Phenol, p-allyl-; 4-prop-2-enylphenol; 501-92-8; SC-22043; 4-(prop-2-en-1-yl)phenol; 3-(4-Hydroxyphenyl)-1-propene; UNII-Q5ER4K6969; 4-(2-Propenyl)phenol; p-Hydroxyallylbenzene; CJ-24615; BBL018739; C16930; 4-Allyl-Phenol; Q5ER4K6969; CTK4J2234; DTXSID60198210; MolPort-006-111-494; gamma-(p-Hydroxyphenyl)-alpha-propylene; Chavicol;4-allylphenol;4-(2-propenyl)- phenol |
C9H10O |
134.18 |
C=CCC1=CC=C(C=C1)O |
TCMBANKIN058060 |
gallic acid |
Spectrum4_001544; NSC-755825; 4CN-0954; KBio2_000822; NCGC00260064-01; KBio3_001168; CHEBI:30778; GTPL5549; D0Y3TZ; NCGC00091125-01; 632XD903SP; ARONIS23903; Spectrum5_000108; Jsp002851; T7419; Gallic acid, puriss., 98.0%; I14-9302; NCGC00091125-07; ZINC1504; 3,4,5-trihydroxybenzoic acid (ACD/Name 4.0); KBioGR_002008; AK-65266; pyrogallol-5-carboxylate; BRD-K77345217-001-01-9; Gallicum acidum; LNTHITQWFMADLM-UHFFFAOYSA-N; KBio2_003390; EBD679760; NCGC00091125-04; AJ-08037; Gallic acid; ZB000350; BG01502846; A808977; (?)-Gallic acid; WLN: QVR CQ DQ EQ; N1830; AC1NEVA5; SBB008781; 149-91-7; GALLIC ACID ANHYDROUS; Gallic acid [NF]; KS-00000IWM; CS-8191; LS-870; C01424; KS-00004784; CHEBI:16918; SPECTRUM210369; c0006; UNII-632XD903SP; ACMC-20aku5; CTK0H5618; BIDD:ER0374; AC1Q732X; NCGC00091125-02; F1908-0156; Oprea1_087792; CG0029; DSSTox_RID_75711; Kyselina 3,4,5-trihydroxybenzoova; 3-10-00-02070 (Beilstein Handbook Reference); RP23206; NSC36997; Gallic acid, certified reference material, TraceCERT(R); AI3-16412; CCG-38670; STK298718; Tox21_202515; bmse000389; AN-15162; AB00052697_03; SR-05000001537-2; NSC-36997; 1886-EP2374526A1; 5-Carboxybenzene-1,2,3-triol; KBio2_005958; SR-05000001537-3; NCGC00091125-05; KBio1_001347; Kyselina gallova [Czech]; KSC175M1R; KBioSS_000822; HMS2091A07; gallate; CPD-183; Spectrum3_000254; 78563C7D-0E2D-4766-A8EA-670A03C78FCF; gallic acid ; InChI=1/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12; GDE; SBI-0052184.P002; EINECS 205-749-9; CAS-149-91-7; Kyselina gallova; J3.617.291F; Benzoic acid, 3,4,5-trihydroxy-; BG00601456; DivK1c_006403; Benzoic acid,4,5-trihydroxy-; gallic acid for microelectronic industrial; BRN 2050274; Gallic acid tech.; NCGC00091125-03; Kyselina 3,4,5-trihydroxybenzoova [Czech]; Gallic acid, 97.5-102.5% (titration); gallicacid; 3,4,5-Trihydroxybenzoic acid, anhydrous; NSC674319; TR-020762; 3,4,5-tris(oxidanyl)benzoate; MCULE-1552954312; Gallic acid polymer; Pharmakon1600-00210369; BSPBio_001668; Tox21_111089; HMS1923K07; CCRIS 5523; BDBM50085536; NSC-674319; ST2404570; BB_SC-2795; AC-1206; 3,4,5-trihydroxy-Benzoic acid; Gallic Acid Hydrate; AC1L1934; RTR-020762; GALOP; Q-201146; SR-05000001537-1; DSSTox_CID_650; 3,4,5-Trihydroxybenzoic acid monohydrate, ACS, 98.0% min. 100g; 3,4,5-Trihydroxybenzoic acid ion; GALLICACID; s4603; CHEMBL288114; Gallic acid, tech.; NSC20103; 3,4,5-Trihydroxybenzoic acid; NSC755825; G0011; AB1002218; Gallic Acid, F; MolPort-000-881-260; NSC 674319; SPBio_000617; LNTHITQWFMADLM-UHFFFAOYSA-M; Spectrum_000342; PS-8710; SC-46383; FT-0626592; BBL009937; MFCD00002510; SpecPlus_000307; 3,4,5-trihydroxy-Benzoate; SCHEMBL15012; DSSTox_GSID_20650; ST083487; SR-05000001537; 3,5-Trihydroxybenzoic acid; 3,4,5-Trihydroxybenzoate, X; Tox21_111089_1; Gallic acid (Monohydrate or Anhydrous) (3,4,5-Trih; 3,4,5-Trihydroxybenzoic acid;; Z966690556; 3,4,5-Trihydroxybenzoate; SDCCGMLS-0066503.P001; Pyrogallol-5-carboxylic acid; BC200279; Spectrum2_000399; HY-N0523; HSDB 2117; AC1Q732Y; DTXSID0020650; 5-Trihydroxybenzoic acid; AKOS000119625; NSC 20103; Gallic acid, tech; 138-57-8; NSC-20103; AIDS-001349; gallate; CPD-183; Spectrum3_000254; KBio2_000822; Gallic acid monohydrate; AIDS-059239; KBio3_001168; Gallic acid, tech.; NSC20103; 3,4,5-Trihydroxybenzoic acid; InChI=1/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12; C01424; CHEBI:30778; EINECS 205-749-9; CHEBI:16918; NCGC00091125-01; c0006; J3.617.291F; SPECTRUM210369; Benzoic acid, 3,4,5-trihydroxy-; DivK1c_006403; NSC 674319; SPBio_000617; LNTHITQWFMADLM-UHFFFAOYSA-M; Spectrum_000342; Spectrum5_000108; NCGC00091125-02; BRN 2050274; Oprea1_087792; NCGC00091125-03; 3-10-00-02070 (Beilstein Handbook Reference); SpecPlus_000307; Kyselina 3,4,5-trihydroxybenzoova [Czech]; KBioGR_002008; AI3-16412; NSC674319; pyrogallol-5-carboxylate; 3,4,5-tris(oxidanyl)benzoate; AIDS001349; KBio2_003390; Gallic acid polymer; 1886-EP2374526A1; ZB000350; Gallic acid; BSPBio_001668; KBio2_005958; AIDS059239; CCRIS 5523; 3,4,5-Trihydroxybenzoate; SDCCGMLS-0066503.P001; Pyrogallol-5-carboxylic acid; A808977; 27645_RIEDEL; KBio1_001347; 398225_SIAL; Kyselina gallova [Czech]; WLN: QVR CQ DQ EQ; Spectrum2_000399; HSDB 2117; G7384_SIGMA; KBioSS_000822; GALOP; AC1NEVA5; SBB008781; 3,4,5-Trihydroxybenzoic acid monohydrate, ACS, 98.0% min. 100g; NSC 20103; 3,4,5-Trihydroxybenzoic acid ion; 149-91-7; 3,4,5-trihydroxybenzoic acid; Galllic acid |
C7H6O5 |
170.12 |
C1=C(C=C(C(=C1O)O)O)C(=O)O |
TCMBANKIN058124 |
protocatechualdehyde |
UNII-4PVP2HCH4T; CP0106; RP20407; AIDS108195; ACMC-1BU4F; AB1003652; 4-Formyl-1,2-dihydroxybenzene; PS-5533; 39D855; KSC174Q9D; AKOS000119507; F2190-0614; KB-28320; 3,4-Dihydroxybenzaldehyde, homopolymer; MCULE-8201140117; D0566; ACMC-20mvlo; 3,4-Dihydroxybenzaldehyde, 97%; 3,4 dihydroxybenzaldehyde; I01-0489; AZ0001-0159; MFCD00003370; MolPort-000-672-422; 37520_FLUKA; AC1Q78G5; MLS001148401; 2-HYDROXY-4-(HYDROXYMETHYLIDENE)CYCLOHEXA-2,5-DIEN-1-ONE; AC1Q6Q41; TR-032901; AJ-08356; ST5202222; 1,2-Dihydroxy-4-formylbenzene; 3,4-dihydroxybenzaldehyde; LS-125886; BB_NC-2317; 3, 4-Dihydroxybenzaldehyde; Opera_ID_356; 3,4-dihydroxy benzaldehyde; 4-Formylcatechol; CTK0B9895; Protocatechuic aldehyde; ANW-20526; 4-Formylbenzene-1,2-diol; 3,4-Dihydroxybenzaldehyde, Vetec(TM) reagent grade, 97%; M-6274; CJ-00132; ACon1_001620; 3,4-Dihydroxybenzyl aldehyde; ST50202222; STL146017; D108405_ALDRICH; Benzaldehyde, 3,4-dihydroxy-; A15221; 419370_ALDRICH; catechaldehyde; AC1L1RNP; Benzaldehyde, 3,4-dihydroxy- (9CI); NCGC00180319-01; AB0008392; protocatechuic aldehyde; ST2417247; MEGxm0_000158; BP-11465; PROTOCATECHUIC ALDEHYDE; BR-39223; AIDS-108195; Protocatechualdehyde; 4PVP2HCH4T; 4CN-0731; AR-360/40191185; EINECS 205-377-7; AIDS-022744; Rancinamycin IV; 3,4-DHBAOP; CHEMBL222021; 3,4-Dihydroxybenzaldehyde, purum, >=97.0% (HPLC); ZINC13245; protocatec-hualdehyde; ACN-S002767; SMR000059038; SC-01003; Nc 033; 4,5-Dihydroxybenzaldehyde; ZINC00013245; BBL010377; IBGBGRVKPALMCQ-UHFFFAOYSA-N; PubChem8231; NSC22961; SCHEMBL36350; 3,4-Dihydroxybenzaldehyde, analytical standard; SBB040269; AIDS022744; DB11268; FT-0614322; 139-85-5; N2276; InChI=1/C7H6O3/c8-4-5-1-2-6(9)7(10)3-5/h1-4,9-10; HMS2236H03; LS10200; 134998-43-9; 3,4-dihydroxy-benzaldehyde; D-3480; KS-000002OG; 2,5-Cyclohexadien-1-one, 2-hydroxy-4-(hydroxymethylene)-; CM13991; 4-Formyl-1,2-benzenediol; 3,4-Dihydroxybenzaldehyde; AN-43839; 3,4-Dihydroxybenzenecarbonal; BG01497764; EBD970769; TRA0091487; RTR-032901; 4-(Hydroxymethylene)-2-hydroxy-2,5-cyclohexadien-1-one; NSC-22961; DTXSID4074512; CHEBI:50205; AC-10830; MLS000069606; AM20020464; CS-W009195; CTK0H4891; AK-39223; NSC 22961; HMS3370F03; ZB000709 |
C7H6O3 |
138.12 |
C1=CC(=C(C=C1C=O)O)O |
TCMBANKIN058188 |
PHB |
NSC4961; AE-848/32195059; AIDS-018038; AI3-01003; 4-Hydroxybenzoic acid; Benzoic acid, p-hydroxy-; ST5210584; 54630_FLUKA; C00156; 4-HBA; InChI=1/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10; Acido p-idrossibenzoico [Italian]; HSDB 7233; 99-96-7; p-Salicylic acid; p-Oxybenzoesaure [German]; HYDROXYBENZOIC ACID, PARA; NSC 4961; Benzoic acid, p-hydroxy; EINECS 202-804-9; CHEBI:30763; p-Hydroxybenzoic acid; H20059_ALDRICH; 240141_ALDRICH; NCGC00166040-01; Kyselina 4-hydroxybenzoova [Czech]; 4-Carboxyphenol; Benzoic acid, 4-hydroxy; W398608_ALDRICH; 4-Hydroxybenzoesaeure; Benzoic acid, 4-hydroxy-; AIDS018038; WLN: QVR DQ; 4-hydroxybenzoic; 4-hydroxy benzoic acid |
C7H6O3 |
138.12 g/mol |
C1=CC(=CC=C1C(=O)O)O |
TCMBANKIN058192 |
isoliquiritigenin |
HCC; KBio2_000625; SPBio_000949; Spectrum2_000875; 961-29-5; 2-PROPEN-1-ONE, 1-(2,4-DIHYDROXYPHENYL)-3-(4-HYDROXYPHENYL)-; SPECTRUM1504200; Chalcone, 2',4,4'-trihydroxy-; CHEMBL1395334; KBio3_002631; NCGC00015556-01; SDCCGMLS-0066751.P001; ST5309279; (2E)-1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one; KBio2_003193; InChI=1/C15H12O4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-9,16-17,19H/b8-3; (E)-1-(2,4-Dihydroxyphenyl)-3-(4-hydroxyphenyl)-2-propen-1-one; CMLD3_000056; BSPBio_003411; C08650; CCRIS 7676; 2',4,4'-Trihydroxychalcone; Lopac0_000681; 1-(2,4-Dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one; I159_SIGMA; 1-(2,4-Dihydroxyphenyl)-3-(4-hydroxyphenyl)-2-propen-1-one; Lopac-I-3766; CPD-3041; KBio1_001802; MEGxp0_001326; ZINC3869607; BRN 1914295; MLS000438943; SMR000112969; Acrylophenone, 2',4'-dihydroxy-3-(p-hydroxyphenyl)-; (2E)-1-(2,4-Dihydroxyphenyl)-3-(4-hydroxyphenyl)-2-propen-1-one; ACon1_000047; GU 17; KBioGR_002232; DivK1c_006858; KBio2_005761; 1-08-00-00707 (Beilstein Handbook Reference); 4,2′,4′-Trihydroxychalcone; (E)-1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one; NCGC00090504-01; (Z)-1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one; EU-0100681; Spectrum3_001656; AC1O7G44; 4,2',4'-Trihydroxychalcone; EINECS 237-316-5; I3766_SIGMA; AIDS035379; AIDS-035379; 13745-20-5; Spectrum5_000612; 2-propen-1-one, 1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)-, (2E)-; Spectrum_000145; KBioSS_000625; Isoliquiritigenin; Spectrum4_001756; 42'4'-trihydroxychalcone; 2-Propen-1-one, 1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)-, (E)-; NCGC00090504-03; SpecPlus_000762; 2',4',4-trihydroxychalcone |
C15H12O4 |
256.25 g/mol |
C1=CC(=CC=C1C=CC(=O)C2=C(C=C(C=C2)O)O)O |
TCMBANKIN058212 |
4-hydroxybenzaldehyde;HBA |
4-hydroxybenzal-dehyde; 4-hydroxy-benzaldehyde;54590_FLUKA; p-Oxybenzaldehyde; ST5213381; 123-08-0; p-Hydroxybenzaldehyde; FR-0985; 65581-83-1; AIDS-017917; InChI=1/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9; 4-HYDROXY-BENZALDEHYDE; ZINC00156709; BRN 0471352; Benzaldehyde, 4-hydroxy-, homopolymer; 4-08-00-00251 (Beilstein Handbook Reference); CHEBI:17597; NSC 2127; 4-Formylphenol; Benzaldehyde, p-hydroxy-; Usaf m-6; AIDS017917; 4-HYDROXYBENZALDEHYDE; 54589_FLUKA; AI3-15366; Benzaldehyde, 4-hydroxy-; Parahydroxybenzaldehyde; C00633; AB-131/40191192; p-Formylphenol; c0285; NSC2127; WLN: VHR DQ; W398403_ALDRICH; 4-Hydroxybenzaldehyde, homopolymer; EINECS 204-599-1; 144088_ALDRICH |
C7H6O2 |
122.12 |
C1=CC(=CC=C1C=O)O |
TCMBANKIN058213 |
kaemferol;kampferol;kaempferol;campherol |
TNP00039; nchembio.2007.28-comp30; Kaempherol; 5-18-05-00251 (Beilstein Handbook Reference); Prestwick2_001098; CHEBI:28499; Prestwick1_001098; CAS-520-18-3; BRN 0304401; Flavone, 3,4',5,7-tetrahydroxy-; ST030560; MEGxp0_001283; 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-5,7,4'-Trihydroxyflavonol; C.I. 75640; Swartziol; K0133_SIGMA; kaempferol oxoanion; NCGC00016480-01; 60010_FLUKA; EINECS 208-287-6; Pelargidenon; Nimbecetin; 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4-chromenone; NSC 407289; 3,4',5,7-Tetrahydroxyflavone; HSCI1_000027; Pelargidenolon 1497; NSC407289; Robigenin; C05903; CPD1F-90; Kampferol; NSC 656277; Prestwick0_001098; 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one; Populnetin; Kampcetin; Prestwick3_001098; AIDS-001404; ZINC00137345; kaempferol ; 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-olate; 3,4′,5,7-Tetrahydroxyflavone; Rhamnolutein; NCGC00016480-02; ACon1_001867; NSC656277; 3,4′,5,7-Tetrahydroxyflavone; BSPBio_001176; SPBio_003058; Oprea1_650954; 5,7,4'-Trihydroxyflavonol; 4H-1-Benzopyran-4-one,3,5,7-trihydroxy-2-(4-hydroxyphenyl)-5,7,4'-Trihydroxyflavonol; 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)- (9CI); Campherol; 520-18-3; 3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-4H-CHROMEN-4-ONE; S00111; Trifolitin; Kampherol; AI3-36096; 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromone; Indigo yellow; Pelargidenolon; AIDS001404; nchembio718-comp14; NCGC00091036-01; Flavone, 3,4',5,7-tetrahydroxy- (7CI,8CI); CHEBI:58573; Kaemferol; Kempferol; BPBio1_001294; 3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; Rhamnolutin; 3,5,7-triOH-Flavone; KMP; CCRIS 41; 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)- |
C15H10O6 |
286.24 g/mol |
C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O |
TCMBANKIN058229 |
daidzein |
Daidzei; 486-66-8; AIDS-059333; ST057515; KBio2_005871; CCRIS 7600; 7-Hydroxy-3-(4-hydroxy- phenyl)- chromone; SPBio_000205; AIDS059333; 4′,7-Dihydroxy- iso- flavone; nchembio.2007.28-comp31; KBio2_003303; Spectrum3_000191; Isoflavone, 4',7-dihydroxy- (8CI); Oprea1_182317; 7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one; Spectrum5_000857; NCGC00025156-01; BiomolKI_000060; S00273; NCGC00015365-01; KBio1_001023; BiomolKI2_000066; KBioSS_000735; Daidzeol; SMP1_000089; 7,4'-Dihydroxyisoflavone; 7-Hydroxy-3-(4-hydroxyphenyl)-4-benzopyrone; C10208; SPECTRUM200789; nchembio.76-comp16; BSPBio_001741; NCGC00025156-09; Daidzein (6CI); 4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-hydroxyphenyl)-; BRN 0231523; 5-18-04-00089 (Beilstein Handbook Reference); Daidzein; Daidzein (4',7-Dihydroxyisoflavone); KBioGR_002432; NINDS_001023; KBio2_000735; ACon1_000543; NCGC00025156-07; ZINC00047551; daidzein ; NCGC00025156-02; Lopac-D-7802; Tocris-1417; 7-hydroxy-3-(4-hydroxyphenyl)chromone; ACon0_001477; 7-Hydroxy-3-(4-hydroxy-phenyl)-chromone; KBio3_001241; DivK1c_001023; Spectrum4_001964; K 251b; UPCMLD-DP052:001; IDI1_001023; MEGxm0_000123; Lopac0_000412; D7802_SIGMA; Spectrum2_000053; EINECS 207-635-4; Spectrum_000255; 4′,7-Dihydroxyisoflavone; NCGC00025156-05; 4',7-Dihydroxy-iso-flavone; NCGC00025156-04; 7-hydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one; 7-Hydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; 7-hydroxy-3-(4-hydroxyphenyl)-4-chromenone; 7-Hydroxy-3-(4-hydroxy- phenyl)-4H-1-benzo- pyran-4-one; EU-0100412; CHEBI:28197; SDCCGMLS-0066422.P001; 4',7-Dihydroxyisoflavone; Oprea1_305345 |
C15H10O4 |
254.24 |
C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O)O |
TCMBANKIN058230 |
kakonein |
puerarin;puerarin-4'-o-d-glucoside;8-(beta-D-Glucopyranosyl-7-hydroxy-3- (4-hydroxyphenyl)-4H-1-benzopyran-4-one; NPI-31G; 7-hydroxy-3-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one; SCHEMBL14329031; 7-hydroxy-3-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]-4-chromenone; 82435_FLUKA; daidzein 8-C-glucoside; Puerarin; P5555_SIGMA; 7-hydroxy-3-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-one; 3681-99-0; ANGC-3681-99-0; 8-(beta-D-Glucopyranosyl)-4',7-dihydroxyisoflavone; C10524; 7-hydroxy-3-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]chromone |
C21H20O9 |
416.4 g/mol |
C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3C4C(C(C(C(O4)CO)O)O)O)O)O |
TCMBANKIN058314 |
benzaldehyde |
SCHEMBL896024; A804633;Benzoic aldehyde;WLN: VHR;InChI=1/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6; CHEBI:17169; Benzene methylal; B1334_ALDRICH; Ald3-H_000012; Benzenecarbonal; Benzaldehyde (natural); NCGC00091819-01; AI3-09931; EINECS 202-860-4; Oil of Bitter Almond; ST5213372; Artificial essential oil of almond; nchembio814-comp15; LS-27; EPA Pesticide Chemical Code 008601; BENZALDEHYDE; W212709_ALDRICH; Ald3.1-H_000160; D02314; Benzenemethylal; NCI-C56133; HSDB 388; 12010_FLUKA; Ald3.1-H_000479; Benzaldehyde FFC; W212717_ALDRICH; Benzene carbaldehyde; CCRIS 2376; 100-52-7; Benzaldehyde [UN1990] [Class 9]; Caswell No. 076; Benzenecarboxaldehyde; Benzoyl hydride; Ald3.1-H_000798; Benzaldehyde (NF); Artificial Almond Oil; Benzaldehyde [USAN]; Artificial Bitter Almond Oil; 09143_FLUKA; C00261; Synthetic oil of bitter almond; FEMA No. 2127; ghl.PD_Mitscher_leg0.170; c0279; 418099_ALDRICH; Benzoic aldehyde; Benzene carboxaldehyde; benzanoaldehyde; Bitter almond oil, synthetic; UN1990; NSC7917; Almond Artificial Essential Oil; NSC 7917; Benzadehyde; Phenylmethanal |
C7H6O |
106.12 |
C1=CC=C(C=C1)C=O |
TCMBANKIN058324 |
isoflavone |
genistein(1-); 5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-olate; isoflavone ; CHEBI:74224; ST5331741; 574-12-9; 3-phenylchromen-4-one; 3-Phenylchromone; 4H-1-Benzopyran-4-one, 3-phenyl- (9CI); 3-phenyl-4H-1-benzopyran-4-one; NSC 135405; C00799; 3-phenyl-4-chromenone; CHEBI:18220; NSC135405; AIDS-002244; Isoflavone (8CI); 3-phenyl-4H-chromen-4-one; 4H-1-Benzopyran-4-one, 3-phenyl-; Isoflavone; AIDS002244; Isoflavon |
C15H10O2 |
222.24 g/mol |
C1=CC=C(C=C1)C2=COC3=CC=CC=C3C2=O |
TCMBANKIN058328 |
benzyl cyanide;WLN: NC1R; |
benzylcyanide; Acetic acid, phenyl-nitrile; CAS-140-29-4; ST51017243; NSC118418; Benzylkyanid [Czech]; Toluene, .alpha.-cyano-; .alpha.-Cyanotoluene; 140-29-4; AI3-04975; BnCN; ACMC-1C0PN; DTXSID2021492; .alpha.-Tolunitrile; KSC175C3P; AKOS000118943; alpha-Cyanotoluene; MCULE-3500109780; UN 2470; phenylacetonitile; benzene-acetonitrile; Phenylacetonitrile, liquid [UN2470] [Poison]; Toluene, alpha -cyano-; CTK0H5137; Z57131036; Benzeneacetonitrile; AN-23174; EC 205-410-5; C8H7N; P0128; CHEMBL3560735; Phenyl acetyl nitrile; 2-phenylethanenitrile; Tox21_200217; 2-phenyl-acetonitrile; AS01366; UNII-23G40PRP93; EINECS 205-410-5; alpha -cyano-; Benzylkyanid; LABOTEST-BB LT00891699; WLN: NC1R; KB-47802; NSC 118418; NCGC00090854-01; Benzyl cyanide, 98%; UN2470; 23G40PRP93; DEA Code 8735; NCGC00257771-01; Toluene, alpha-cyano-; PubChem20468; 56620-16-7; benzene acetonitrile; .omega.-Cyanotoluene; DSSTox_CID_1492; BENZYL CYANIDE; LS-817; AC1L1RPP; OTAVA-BB 1519434; Phenylacetonitrile, liquid [UN2470] [Poison]; Acetonitrile, phenyl-; 2-Phenylacetonitrile; HSDB 2103; alpha -tolunitrile; DB-004016; KS-000000HS; Benzylnitrile; benzyl-cyanide; J-519675; Phenylacetonitrile, liquid; omega-Cyanotoluene; NSC3407; Phenylacetonitrile; Benzyl nitrile; C16074; phenylacteonitrile; AC1Q4S1D; USAF KF-21; A-TOLUNITRILE; SUSQOBVLVYHIEX-UHFFFAOYSA-N; Benzyl cyanide, >=99%; A807640; TRA0004632; SBB058386; RTC-061401; Phenacetonitrile; cyano(phenyl)methyl; CHEBI:25979; alpha-Cyano-Toluene; SC-26879; FT-0657342; Benzeneacetonitrile, 9CI; NSC-3407; S01-0547; ZINC1666748; Phenyl-acetonitrile; enzylcyanide; Benzyl cyanide, analytical standard; ANW-20559; DSSTox_RID_76184; alpha-phenylacetonitrile; CJ-26987; MFCD00001894; NSC-118418; laquo Omegaraquo -cyanotoluene; InChI=1/C8H7N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6H; Cyanophenylmethane; SCHEMBL37831; F0001-0481; CCRIS 4698; DSSTox_GSID_21492; alpha -cyanotoluene; NCGC00090854-02; alpha-Tolunitrile; RP19286; (Cyanomethyl)benzene; MolPort-001-768-890;Acetic acid, phenyl-nitrile; Benzeneacetonitrile; omega-cyanotoluene; Toluene, alpha-cyano-; Usaf kf-21; NSC118418; 185728_ALDRICH; Benzylkyanid [Czech]; CHEBI:25979; 13300_FLUKA; .omega.-Cyanotoluene; Phenyl acetyl nitrile; Toluene, .alpha.-cyano-; c0647; Phenyl-acetonitrile; .alpha.-Cyanotoluene; 140-29-4; AI3-04975; Acetonitrile, phenyl-; 2-Phenylacetonitrile; EINECS 205-410-5; HSDB 2103; .alpha.-Tolunitrile; B19401_ALDRICH; alpha-Cyanotoluene; Benzylnitrile; InChI=1/C8H7N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6H; Phenylacetonitrile, liquid; CCRIS 4698; Benzyl cyanide; NSC3407; Phenylacetonitrile; Benzyl nitrile; NSC 118418; Phenylacetonitrile, liquid [UN2470] [Poison]; alpha-Tolunitrile; ZINC01666748; C16074; NCGC00090854-01; UN2470; (Cyanomethyl)benzene;phenylacetonitrile;Benzyl nitrile |
C8H7N |
117.15 g/mol |
C1=CC=C(C=C1)CC#N |
TCMBANKIN058355 |
Aromatic alcohol |
NSC 8044; Aromatic primary alcohol; HSDB 46; alpha-hydroxytoluene; benzyl alcohol; AIDS009274; AIDS-009274; CCRIS 2081; Alcohol bencilico [INN-Spanish]; (Hydroxymethyl)benzene; W213705_ALDRICH; AI3-01680; FEMA No. 2137; 4-06-00-02222 (Beilstein Handbook Reference); Hydroxytoluene; benzenemethanol; Benzyl alcohol (JP15/NF/INN); 24122_RIEDEL; 442481_SUPELCO; Phenolcarbinol; NCGC00091865-01; InChI=1/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H; Euxyl K 100; .alpha.-Toluenol; BENZYL-ALCOHOL; Caswell No. 081F; BRN 0878307; Benzoyl alcohol; C00556; Benzal alcohol; 402834_SIAL; 100-51-6; 1336-27-2; LS-307; Phenylcarbinolum; Methanol, phenyl-; 305197_ALDRICH; NSC8044; c0278; Benzyl alcohol (natural); 185532-71-2; Benzenecarbinol; hydroxymethylbenzene; C03485; Alcool benzilico [DCIT]; NCI-C06111; TOLUENE,ALPHA-HYDROXY; 108006_ALDRICH; Benzylalkohol; alpha-Toluenol; 13160_FLUKA; Benzyl alcohol [USAN:INN:JAN]; EINECS 202-859-9; CHEBI:17987; Alcoholum benzylicum [INN-Latin]; EPA Pesticide Chemical Code 009502; phenylcarbinol; 34460_RIEDEL; .alpha.-Hydroxytoluene; Benzylicum; D00077; W213713_ALDRICH; alcoholum benzylicum; benzylalcohol; phenylmethanol; Phenylmethyl alcohol; benzylic alcohol; Alcool benzylique; Alcool benzylique [INN-French];benzyl alcohol;WLN: Q1R |
C7H8O |
108.14 g/mol |
C1=CC=C(C=C1)CO |
TCMBANKIN058364 |
IPH |
NCI-C50124; Phenol, liquid; Baker's P and S Liquid and Ointment; 48556_SUPELCO; Un 2812 (solution); Carbolic oil; 16018_RIEDEL; P4557_SIAL; AI3-01814; 52463_FLUKA; UN2821; Phenol, sulfurated; NSC 36808; (14C)Phenol; Phenic; 242322_SIAL; Fenolo; Phenol, chloro derivs.; 185450_SIAL; Paoscle (TN); P4682_SIAL; Fenosmoline; Phenole [German]; Phenole; PhOH; 328111_SIAL; 77614_FLUKA; acide phenique; UN2312; ST5214353; Carbolic acid, liquid; Phenol [JAN]; Liquid phenol; LS-476; P3653_SIAL; Phenol, solid [UN1671] [Poison]; NCGC00091454-03; RCRA waste number U188; WLN: QR; W322318_ALDRICH; Phenol (liquid); Phenol (or solutions with 5% or more phenol); Caswell No. 649; 16016_RIEDEL; Baker's p and s; Phenol, synthetic; Fenolo [Italian]; Phenol, pure; Phenol solution; HSDB 113; Phenyl alcohol; Oxybenzene; Izal; C15584; FEMA No. 3223; phenylalcohol; AIDS-000352; NSC36808; Phenol (TN); Phenol alcohol; 40063_SUPELCO; Phenol-UL-14C; UN 1671 (solid); 16017_RIEDEL; 33517_RIEDEL; InChI=1/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7; Acide carbolique [French]; carbolic acid; Synthetic phenol; Phenyl hydroxide; Fenol [Dutch, Polish]; RCRA waste no. U188; NCGC00091454-01; P1037_SIAL; UN1671; 46344_RIEDEL; 35952_RIEDEL; Fenol; ZINC00895069; Phenol, labeled with carbon-14; Fenosmolin; Baker's P & S liquid & Ointment; Monophenol; Phenylic alcohol; 564796_ALDRICH; Monohydroxybenzene; Phenol solutions [UN2821] [Poison]; 77607_FLUKA; Phenol, molten [UN2312] [Poison]; 297437_SIGMA; P9346_SIAL; CHEBI:15882; c0128; Carbolsaure [German]; EINECS 203-632-7; Phenol (JP15/USP); Phenyl hydrate; Phenol, polymer-bound; UN 2312 (molten); D00033; EPA Pesticide Chemical Code 064001; EINECS 262-972-4; 48688_SUPELCO; Phenol, liquefied; Phenol, chlorinated; Benzene, hydroxy-; CCRIS 504; Karbolsaeure; Paoscle; Liquified Phenol; Acide carbolique; Monohydroxy benzene; P5566_SIAL; NCGC00091454-02;phenylic alcohol;NCI-C50124; 582-EP2308872A1; UN 2312; 582-EP2284148A1; 582-EP2308875A1; 582-EP2275404A1; 582-EP2292597A1; Phenol, liquid; 582-EP2315502A1; AC1Q791G; 582-EP2305689A1; NCGC00259188-01; 582-EP2295426A1; Campho-Phenique Liquid; 582-EP2380872A1; 582-EP2311464A1; 582-EP2316937A1; 3f39; 78049-EP2277868A1; Carbolsaeure; 582-EP2284157A1; J-610001; Carbolsaure; UN2821; 582-EP2305698A2; 582-EP2279750A1; 582-EP2308861A1; AJ-53232; 108-95-2; 582-EP2275395A2; MFCD00002143; 582-EP2275105A1; Phenole [German]; Phenole; AC1L1AHZ; 582-EP2286812A1; 582-EP2308877A1; Phenol, detached crystals, 99% 100g; acide phenique; 582-EP2287166A2; P1610; 582-EP2301538A1; 582-EP2301919A1; 582-EP2316470A2; Hydroxybenzene; Tox21_113463_1; 61788-41-8; 582-EP2316974A1; 14534-23-7; NCGC00091454-03; WLN: QR; Phenol, SAJ first grade, >=98.0%; 582-EP2277879A1; Phenol (or solutions with 5% or more phenol); benzenod; 582-EP2277881A1; Baker's p and s; RL00383; Phenol, pure; 582-EP2301924A1; PHENOL- D6; HSDB 113; Hydroxy-benzene; Izal; Phenol, unstabilized, purified by redistillation, >=99%; C15584; Phenol, puriss., meets analytical specification of Ph. Eur., BP, USP, >=99.5% (GC), crystalline (detached); NCGC00091454-04; 582-EP2280021A1; UN 1671 (solid); C6H6O; InChI=1/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7; 582-EP2298758A1; 582-EP2272817A1; 582-EP2308848A1; Phenol solution, BioReagent, Saturated with 0.1 M citrate buffer, pH??4.3 +/- 0.2, for molecular biology; Phenol [USP:JAN]; 582-EP2289879A1; H2391; 582-EP2305649A1; 582-EP2308873A1; Phenol, LR, >=99%; AK113559; 582-EP2298753A1; NCGC00091454-07; RCRA waste no. U188; Phenol, ultrapure; 582-EP2311811A1; SMR000568492; Fenosmolin; 582-EP2302015A1; Phenylic alcohol; 78049-EP2277870A1; Pandy's reagent; 582-EP2280004A1; 582-EP2301926A1; Liquefied phenol BP; Carbolsaure [German]; EINECS 203-632-7; 8002/7/1; 582-EP2272849A1; Phenol, BioXtra, >=99.5% (GC); ISWSIDIOOBJBQZ-UHFFFAOYSA-N; 582-EP2301935A1; 582-EP2308880A1; FT-0645154; Paoscle; Phenol molten; 50356-25-7; 582-EP2295424A1; AB1002201; Benzenol; BDBM26187; Phenol, >=99%; 582-EP2311814A1; Fenol(DUTCH, POLISH); 582-EP2280003A2; 582-EP2311494A1; 1li2; 582-EP2316832A1; 1ai7; Un 2812 (solution); Carbolic oil; 582-EP2298759A1; AI3-01814; Phenol, sulfurated; 582-EP2298778A1; (14C)Phenol; 582-EP2301929A1; Phenol, PESTANAL(R), analytical standard; 582-EP2295434A2; BIDD:ER0293; NCGC00254019-01; I01-9247; 582-EP2275411A2; 582-EP2308838A1; Paoscle (TN); 582-EP2284147A2; EC 203-632-7; Fenosmoline; hydroxybenzend; PhOH; 582-EP2272813A2; 582-EP2305687A1; Phenol, detached crystals; Phenol, AR, >=99.5%; MolPort-000-871-946; Tox21_113463; PHENOL, 80% in ethanol; 582-EP2272822A1; DSSTox_RID_75955; Phenol solution, 100 mug/mL in acetonitrile, PESTANAL(R), analytical standard; Carbolic acid, liquid; Liquid phenol; 582-EP2277570A2; Phenol, >25% in a non hazardous diluent; Phenol (liquid); Phenol, for molecular biology; Caswell No. 649; 582-EP2277568A2; Phenol, synthetic; Fenolo [Italian]; 582-EP2305674A1; 4-hydroxybenzyl group; 582-EP2295429A1; 582-EP2287162A1; 78049-EP2272846A1; Phenol, p.a., ACS reagent, 99.5-100.5%; FEMA No. 3223; Phenol (TN); Phenol (JP17/USP); DTXSID5021124; 582-EP2287161A1; 582-EP2305673A1; 582-EP2295399A2; 139-02-6 (hydrochloride salt); 582-EP2305664A1; 582-EP2371811A2; 582-EP2374784A1; 582-EP2277569A2; 582-EP2305695A2; BP-30160; 582-EP2308510A1; KB-59534; 582-EP2298744A2; Phenol, natural, 97%, FG; 582-EP2295437A1; carbolic acid; 582-EP2280010A2; 582-EP2284160A1; 582-EP2287165A2; Fenol [Dutch, Polish]; UN1671; 582-EP2371807A1; Phenol, labeled with carbon-14; Phenol, United States Pharmacopeia (USP) Reference Standard; UN 2821; Liquefied phenol; Monohydroxybenzene; bmse000290; 582-EP2289892A1; 582-EP2311822A1; Cepastat lozenges; Phenol solutions; 78049-EP2292608A1; 582-EP2305625A1; 582-EP2305684A1; Phenol, polymer-bound; 582-EP2301983A1; Phenyl hydrate; UN 2312 (molten); 582-EP2280020A1; 582-EP2308878A2; Phenol, BP grade 80% aqueous solution; MCULE-9943948107; EINECS 262-972-4; KS-00000VIO; DB03255; UNII-339NCG44TV; 582-EP2311831A1; Phenol, molten [UN2312] [Poison]; Monohydroxy benzene; NCGC00091454-02; 582-EP2316833A1; LS-105199; Phenol solution, 5000 mug/mL in methanol, certified reference material; 582-EP2277567A1; Cuticura pain relieving ointment; 582-EP2277867A2; 582-EP2298742A1; 582-EP2316824A1; 582-EP2314579A1; 582-EP2305243A1; Baker's P and S Liquid and Ointment; 582-EP2372017A1; 582-EP2316829A1; F1908-0106; AN-22534; 582-EP2305627A1; ACMC-1CE2K; 582-EP2280006A1; NSC 36808; 582-EP2284169A1; Fenolo; PHENOL, ACS; 78049-EP2371806A1; DSSTox_GSID_21124; 582-EP2295428A2; 582-EP2289883A1; Liquefied phenol (TN); UN 1671; 582-EP2284146A2; 582-EP2301937A1; 582-EP2305633A1; Phenol synthetic; Phenol [JAN]; Phenolated water for disinfection; MLS001065591; Phenol solutions [UN2821] [Poison]; NSC-36808; Phenol homopolymer; Phenol, solid [UN1671] [Poison]; DSSTox_CID_1124; 582-EP2269997A2; 582-EP2311455A1; NCGC00091454-05; 582-EP2308840A1; Phenol stock solution, 100 mg/dL, standard; C00146; PHENOL REAGENT; 582-EP2301536A1; 582-EP2272972A1; 582-EP2305808A1; Phenyl alcohol; 582-EP2316836A1; 582-EP2371806A1; 582-EP2281819A1; 78049-EP2371807A1; Phenol, polymer-bound, 100-200 mesh, extent of labeling: 0.5-1.5 mmol/g loading, 1 % cross-linked with divinylbenzene; 582-EP2305648A1; 582-EP2305640A2; 582-EP2314571A2; Phenol, >=96.0% (calc. on dry substance, T); Phenol, BioUltra, for molecular biology, >=99.5% (GC); I14-62966; NA 2821; SC-26791; Phenol,industrial; Phenol for disinfection (JP17); 582-EP2374785A1; 582-EP2277872A1; Phenol polymer-bound; CS0062; 582-EP2281817A1; AKOS000119025; 582-EP2305679A1; 582-EP2275420A1; 582-EP2275403A1; 582-EP2311834A1; NCGC00091454-01; Fenol; Tox21_300042; Baker's P & S liquid & Ointment; bmse010026; Liquified Phenol, meets USP testing specifications, >=89.0%; Campho-Phenique Cold Sore Gel; CAS-108-95-2; CRISTALESDEFENOL; 582-EP2284165A1; 582-EP2314576A1; Carbolic acid liquid; 582-EP2308865A1; TEA polyphenol; 582-EP2270003A1; 582-EP2270101A1; 78049-EP2308866A1; C6H5OH; ANW-15995; D00033; 63496-48-0; AM802906; Phenosmolin; Liquefied phenol (JP17); 582-EP2311829A1; Phenol, ACS reagent; Benzene, hydroxy-; CCRIS 504; Phenol, 90% aqueous solution; Hydroxybenzene solution; 582-EP2280012A2; Acide carbolique; CTK0H5673; 582-EP2269975A2; 582-EP2277566A2; 582-EP2298776A1; 78049-EP2277869A1; Phenic alcohol; p-Hydroxy polystyrene (100-200 mesh, 0.5-1.5 mmol/g); 582-EP2295438A1; NCGC00091454-06; Phenol, solid; 582-EP2295427A1; Phenol, contains hypophosphorous as stabilizer, loose crystals, ACS reagent, >=99.0%; 582-EP2305033A1; 582-EP2275415A2; 582-EP2311808A1; 582-EP2272973A1; Phenol, JIS special grade, >=99.0%; Phenol, >=99.0%; 52009-05-9; 582-EP2314295A1; Phenic; 582-EP2298750A1; PHENOL, ULTRA PURE; 582-EP2298734A2; phenol; 582-EP2287167A1; 582-EP2284178A2; Tox21_201639; 582-EP2272935A1; 27073-41-2; 582-EP2270113A1; 582-EP2305697A2; Phenol, molten; UN2312; LS-476; 582-EP2289509A2; Phenol, puriss. p.a., ACS reagent, reag. Ph. Eur., 99.0-100.5%; IPH; PHENOL REAGE NT; 78049-EP2287158A1; Phenol solution; Oxybenzene; Phenol for disinfection (TN); 582-EP2298775A1; Campho-Phenique Gel; phenylalcohol; Phenol liquid; NSC36808; 582-EP2377842A1; Phenol alcohol; Phenol 10 microg/mL in Methanol; 4i7l; RTR-002010; hydroxy benzene; Phenol, BioUltra, for molecular biology, TE-saturated, ~73% (T); Carbolicum acidum; 582-EP2292280A1; Phenol, unstabilized, ReagentPlus(R), >=99%; 56322-06-6; 582-EP2314588A1; Acide carbolique [French]; 582-EP2274983A1; Synthetic phenol; 582-EP2289891A2; Phenyl hydroxide; Phenic acid; phenylic acid, phenyl hydroxide; MFCD03703209; 582-EP2277565A2; 2-hydroxybenzoyl group; LTBB002354; 582-EP2287158A1; Monophenol; Phenol 100 microg/mL in Methanol; 582-EP2269977A2; 582-EP2289965A1; 582-EP2286811A1; Phenol solutions [UN2821] [Poison]; 582-EP2292620A2; 582-EP2316831A1; Phenol, molten [UN2312] [Poison]; 582-EP2305696A2; 73607-76-8; ZINC5133329; 582-EP2280001A1; 582-EP2295411A1; CHEBI:15882; Phenol solution, certified reference material, 500 mug/mL in methanol; 582-EP2289896A1; 582-EP2308471A1; 339NCG44TV; 582-EP2305668A1; phenyloxidanyl; Rcra waste number U188; EPA Pesticide Chemical Code 064001; Phenol, solid [UN1671] [Poison]; 582-EP2305662A1; CHEMBL14060; 582-EP2316452A1; 97694-EP2305662A1; Phenol, liquefied; 582-EP2311824A1; Phenylic acid; Karbolsaeure; 582-EP2289868A1; Phenol, puriss., meets analytical specification of Ph. Eur., BP, USP, 99.5-100.5% (GC); Liquified Phenol; Phenol, for molecular biology, ~90% (T), liquid; Phenolated water; 582-EP2305685A1; 582-EP2292608A1; Phenol solution, BioReagent, Equilibrated with 10??mM Tris HCl, pH??8.0, 1??mM EDTA, for molecular biology;4-[5-phenyl-4,5-dihydro-3-isoxazolyl)-2-methylphenol; 2-methyl-4-(5-phenyl-4,5-dihydroisoxazol-3-yl)phenol;phenylic acid;phenol;hydroxybenzene |
C6H6O |
94.11 g/mol |
C1=CC=C(C=C1)O |
TCMBANKIN058440 |
2-furancarboxaldehyde |
2-Furfuraldehyde; NCGC00091328-01; Furale; Caswell No. 466; CCRIS 1044; Nci-C56177; Fural; NSC8841; Furaldehydes [UN1199] [Poison]; LS-28; AI3-04466; EPA Pesticide Chemical Code 043301; 2-Furylcarboxaldehyde; 2-Furil-metanale [Italian]; NSC 8841; Furol; Furfural; 2-furfural; 2- Furfuraldehyde; furaldehyde; 48070_FLUKA; 2-Furylaldehyde xypropane; F1294-0048; 39276-09-0; Furfural (2-Furfurol, 2-Furaldehyde); Furfural, natural, >=98%, FCC, FG; Furfural, ACS reagent, 99%; FEMA No. 2968; CTK1B4104; Tox21_111114; Rcra waste number U125; 2-Furylcarboxaldehyde; KSC214C0J; 2-Furylaldehyde; 72277-EP2308870A2; ST50213385; EC 202-627-7; 2-furancarbaldehyde; QSPL 102; AKOS000118907; I14-0911; alpha-Furole; FURFURAL; AC1L1OL7; 2-Furil-metanale; BRN 0105755; furan-2-carboxaldehydl; Artificial ant oil; Fuf ural; BIDD:ER0698; F0073; QSPL 006; 2-Furancarbonal; 2-Furfural; WOOD VINEGAR; 2-Furaldehyde; Furfuraldehyde; 2-Furankarbaldehyd [Czech]; Furfurol; I14-22069; RL06103; 72277-EP2308867A2; CCRIS 1044; Fural; furfuraldehydl; Tox21_300170; EPA Pesticide Chemical Code 067206; KB-24259; Furaldehydes [UN1199] [Poison]; HYBBIBNJHNGZAN-UHFFFAOYSA-N; FEMA No. 2967; 2-Furil-metanale [Italian]; SC-18048; Furaldehydes; WLN: T5OJ BVH; ACMC-20978u; Furyl-methanal; 5-17-09-00292 (Beilstein Handbook Reference); Furfurylaldehyde; ZINC3861345; Furfurole; Furfurale [Italian]; UNII-N4G9GAT76C component HYBBIBNJHNGZAN-UHFFFAOYSA-N; Furaldehydes [UN1199] [Poison]; Tox21_202191; TRA0077688; 2-Furyl-methanal; CAS-98-01-1; Furfural (natural); 2-furaldehydl; EBD294; Caswell No. 904; 2-Furankarbaldehyd; 2-Furanaldehyde; FEMA No. 2489; BP-31002; Pyroligneous acids; CHEMBL189362; Artificial oil of ants; NCGC00253954-01; 2-Formylfuran; DSSTox_GSID_20647; DB-003668; Furol; NCGC00259740-01; LS-162370; 2-furan-carboxaldehyde; alpha-Furfuraldehyde; Caswell No. 466; NCGC00091328-04; Nci-C56177; Furfural, 99%; 2-FURANCARBOXALDEHYDE, ACS; LS-28; DTXSID1020647; AC1Q6PVV; AI3-04466; FEMA 2489; Fufural; furan-2-carbaldehyde; Ant Oil, artificial; Bran oil; Quakeral; Ant Oil; HSDB 542; Furane-2-carbaldehyde; STL283124; A845786; 2-Furylmethanal; ANW-13660; Furfurale; Wood Tar; RTC-069695; DSSTox_RID_75709; DJ1HGI319P; Furaldehyde; 2-Formylofuran; Furfural, for synthesis, 98.0%; UN1199; MCULE-5757882837; 2-Furancarboxaldehyde; 2-Furaldehyde, 8CI; NCGC00091328-02; Furfural, >=98%, FCC, FG; Qo furfural; furan-2-aldehyde; a-Furole; SBB004386; 2-furanal; 1998/1/1; Furale; NSC-8841; 72277-EP2277848A1; NSC8841; Furfural, SAJ first grade, >=99.0%; 2-Formyl furan; EPA Pesticide Chemical Code 043301; NSC 8841; U1199; UNII-DJ1HGI319P; EINECS 202-627-7; NCGC00091328-03; 2-Furaldehyde, 98% 250g; furan-2 carbaldehyde; Pyroligneous vinegar; CS-0015696; Furancarbonal; CHEBI:34768; a-furfuraldehyde; Furancarboxaldehyde; .alpha.-Furole; Pyromucic aldehyde; Furfuralu; Furole; RCRA waste no. U125; KS-00000WKJ; MolPort-000-871-210; EINECS 232-450-0; Furfural, analytical reference material; 2-Formylofuran [Polish]; DSSTox_CID_647; STR00358; InChI=1/C5H4O2/c6-4-5-2-1-3-7-5/h1-4; MFCD00003229; 2-furancarboxyaldehyde; AM81812; Pyroligneous acid extract; C14279; Furan-2-carboxaldehyde; EINECS 202-627-7; furan-2-carbaldehyde; WLN: T5OJ BVH; 2-Furylaldehyde; Ant Oil, artificial; Furancarbonal; Bran oil; Furyl-methanal; 5-17-09-00292 (Beilstein Handbook Reference); Furfurylaldehyde; HSDB 542; Quakeral; Furfurole; Furfurale [Italian]; Furfurale; .alpha.-Furole; FURFURAL; Pyromucic aldehyde; ZINC03861345; 2-Furyl-methanal; 2-Furil-metanale; BRN 0105755; Furole; Furfural (natural); RCRA waste no. U125; Furaldehyde; Artificial ant oil; 2-Furaldehyde, purified; W248908_ALDRICH; 2-Formylofuran [Polish]; UN1199; 2-Furanaldehyde; FEMA No. 2489; 2-Furancarboxaldehyde; 185914_ALDRICH; 2-Furancarbonal; 2-Furfural; InChI=1/C5H4O2/c6-4-5-2-1-3-7-5/h1-4; Artificial oil of ants; 2-Furaldehyde; RCRA waste number U125; 319910_SIAL; 2-Formylfuran; Furfuraldehyde; C14279; Furan-2-carboxaldehyde; Furfurol; SBB004386; 98-01-1; W248924_ALDRICH; 2-Furankarbaldehyd [Czech]; 2-Furylaldehyde xypropane; F1294-0048; 39276-09-0; Furfural (2-Furfurol, 2-Furaldehyde); Furfural, natural, >=98%, FCC, FG; Furfural, ACS reagent, 99%; FEMA No. 2968; CTK1B4104; Tox21_111114; Rcra waste number U125; 2-Furylcarboxaldehyde; KSC214C0J; 2-Furylaldehyde; 72277-EP2308870A2; ST50213385; EC 202-627-7; 2-furancarbaldehyde; QSPL 102; AKOS000118907; I14-0911; alpha-Furole; FURFURAL; AC1L1OL7; 2-Furil-metanale; BRN 0105755; furan-2-carboxaldehydl; Artificial ant oil; Fuf ural; BIDD:ER0698; F0073; QSPL 006; 2-Furancarbonal; 2-Furfural; WOOD VINEGAR; 2-Furaldehyde; Furfuraldehyde; 2-Furankarbaldehyd [Czech]; Furfurol; I14-22069; RL06103; 72277-EP2308867A2; CCRIS 1044; Fural; furfuraldehydl; Tox21_300170; EPA Pesticide Chemical Code 067206; KB-24259; Furaldehydes [UN1199] [Poison]; HYBBIBNJHNGZAN-UHFFFAOYSA-N; FEMA No. 2967; 2-Furil-metanale [Italian]; SC-18048; Furaldehydes; WLN: T5OJ BVH; ACMC-20978u; Furyl-methanal; 5-17-09-00292 (Beilstein Handbook Reference); Furfurylaldehyde; ZINC3861345; Furfurole; Furfurale [Italian]; UNII-N4G9GAT76C component HYBBIBNJHNGZAN-UHFFFAOYSA-N; Furaldehydes [UN1199] [Poison]; Tox21_202191; TRA0077688; 2-Furyl-methanal; CAS-98-01-1; Furfural (natural); 2-furaldehydl; EBD294; Caswell No. 904; 2-Furankarbaldehyd; 2-Furanaldehyde; FEMA No. 2489; BP-31002; Pyroligneous acids; CHEMBL189362; Artificial oil of ants; NCGC00253954-01; 2-Formylfuran; DSSTox_GSID_20647; DB-003668; Furol; NCGC00259740-01; LS-162370; 2-furan-carboxaldehyde; alpha-Furfuraldehyde; Caswell No. 466; NCGC00091328-04; Nci-C56177; Furfural, 99%; 2-FURANCARBOXALDEHYDE, ACS; LS-28; DTXSID1020647; AC1Q6PVV; AI3-04466; FEMA 2489; Fufural; furan-2-carbaldehyde; Ant Oil, artificial; Bran oil; Quakeral; Ant Oil; HSDB 542; Furane-2-carbaldehyde; STL283124; A845786; 2-Furylmethanal; ANW-13660; Furfurale; Wood Tar; RTC-069695; DSSTox_RID_75709; DJ1HGI319P; Furaldehyde; 2-Formylofuran; Furfural, for synthesis, 98.0%; UN1199; MCULE-5757882837; 2-Furancarboxaldehyde; 2-Furaldehyde, 8CI; NCGC00091328-02; Furfural, >=98%, FCC, FG; Qo furfural; furan-2-aldehyde; a-Furole; SBB004386; 2-furanal; 1998/1/1; Furale; NSC-8841; 72277-EP2277848A1; NSC8841; Furfural, SAJ first grade, >=99.0%; 2-Formyl furan; EPA Pesticide Chemical Code 043301; NSC 8841; U1199; UNII-DJ1HGI319P; EINECS 202-627-7; NCGC00091328-03; 2-Furaldehyde, 98% 250g; furan-2 carbaldehyde; Pyroligneous vinegar; CS-0015696; Furancarbonal; CHEBI:34768; a-furfuraldehyde; Furancarboxaldehyde; .alpha.-Furole; Pyromucic aldehyde; Furfuralu; Furole; RCRA waste no. U125; KS-00000WKJ; MolPort-000-871-210; EINECS 232-450-0; Furfural, analytical reference material; 2-Formylofuran [Polish]; DSSTox_CID_647; STR00358; InChI=1/C5H4O2/c6-4-5-2-1-3-7-5/h1-4; MFCD00003229; 2-furancarboxyaldehyde; AM81812; Pyroligneous acid extract; C14279; Furan-2-carboxaldehyde |
C5H4O2 |
96.08 g/mol |
C1=COC(=C1)C=O |
TCMBANKIN058441 |
Furfuranol |
2-Furanmethanol, homopolymer; Furfuralcohol; NCI-C56224; WLN: T5OJ B1Q; W249106_ALDRICH; UN2874; 2-Furancarbinol; 2-Hydroxymethylfuran; 2-Furfurylalkohol; FEMA No. 2491; HSDB 711; F19906_ALDRICH; 5-17-03-00338 (Beilstein Handbook Reference); furan-2-ylmethanol; (2-FURYL)-METHANOL (FURFURYLALCOHOL); NSC8843; 2-Furylmethanol; EINECS 202-626-1; 88161-36-8; 25212-86-6; .alpha.-Furylcarbinol; alpha-Furylcarbinol; Furylcarbinol; 93793-62-5; 2-Furanylmethanol; 2-Furylcarbinol; LS-2036; Furfurylcarb; 2-Furfuryl alcohol; InChI=1/C5H6O2/c6-4-5-2-1-3-7-5/h1-3,6H,4H; 98-00-0; Furfuryl alcohol [UN2874] [Poison]; FURFURYL ALCOHOL; ZINC01648266; 185930_ALDRICH; 2-Furanmethanol; 5-Hydroxymethylfuran; AI3-01171; SBB004373; NSC 8843; CCRIS 2922; .alpha.-Furfuryl alcohol; BRN 0106291; Methanol, (2-furyl)-; 2-(Hydroxymethyl)furan; Furfural alcohol; 2-Furfurylalkohol [Czech]; Furylcarbinol (VAN); Furyl alcohol; NCGC00249166-01; alpha -Furfuryl alcohol; KSC234E7N; 2-Furylmethanol (ACD/Name 4.0); CHEBI:207496; DSSTox_CID_5347; Furfuryl alcohol, 98%; 2-Hydroxymethylfuran; 2-Furfurylalkohol; XPFVYQJUAUNWIW-UHFFFAOYSA-N; 5-17-03-00338 (Beilstein Handbook Reference); Furfuryl alcohol, natural, >=95%, FG; DSSTox_GSID_25347; 2-Furylmethanol; ACMC-20aiwg; alpha-Furylcarbinol; 2-Furane-methanol (furfurol); AKOS000119178; J-521401; 2-Furylcarbinol; F0076; D582054MUH; Z940713500; Epitope ID:136037; A845784; 5-Hydroxymethylfuran; I14-7268; Furfural alcohol; NCGC00256987-01; FEMA 2491; 40795-25-3; 2-Furanmethanol, homopolymer; NCI-C56224; Tox21_202102; WLN: T5OJ B1Q; DB-016149; DSSTox_RID_77760; 2-furan carbinol; Furanmethanol; FEMA No. 2491; HSDB 711; furan-2-ylmethanol; CHEBI:53371; Tox21_303093; NSC-8843; 2-furylmethan-1-ol; Furfuryl alcohol [UN2874] [Poison]; PubChem19996; I14-22235; 25212-86-6; 88161-36-8; .alpha.-Furylcarbinol; (Fur-2-yl)methanol; Furylcarbinol; 2-Furanmethanol (furfuryl alcohol); 2-Hydroxymethyl-Furan; 2-Furane-methanol; Furfurylcarb; RL06102; InChI=1/C5H6O2/c6-4-5-2-1-3-7-5/h1-3,6H,4H; KB-52195; 98-00-0; Furfuryl alcohol [UN2874] [Poison]; FURFURYL ALCOHOL; ANW-75422; NSC 8843; 767-EP2377611A2; CCRIS 2922; AC1Q7C2H; UN 2874; 767-EP2305688A1; Methanol, (2-furyl)-; AC1L1OL4; BR-72801; AN-17685; CJ-26639; MolPort-000-872-013; 2-Furfurylalkohol [Czech]; ST50214441; furfuryl alcohol (furfurol); UN2874; 2-Furfurylalkohol(CZECH); CTK1D4276; TC-164167; CHEMBL308187; (2-FURYL)-METHANOL (FURFURYLALCOHOL); polyfurfuryl alcohol; alpha -Furylcarbinol; Furfuryl alcohol, analytical standard; 146235-13-4; poly(furfurylalcohol); 93793-62-5; MFCD00003252; (2-furyl)methanol; LS-2036; PFFA; MCULE-4977977402; UNII-D582054MUH; 2-hydroxymethylfurane; 2-Furanmethanol; Furfuryl alcohol, 8CI; (furan-2-yl)methanol; AI3-01171; EC 202-626-1; AK-72801; TR-030270; CAS-98-00-0; AM81811; 2-furanemethanol; BRN 0106291; formaldehyde copolymer; furylmethanol; DTXSID2025347; omega-hydroxypoly(furan-2,5-diylmethylene); alpha-Furfuryl alcohol; C20441; 2-Furfurylalcohol; 2-(Hydroxymethyl)furan; Furylcarbinol (VAN); Furyl alcohol; KS-00000X7F; Furfuralcohol; (2-furyl)-Methanol; 2-Furancarbinol; Furfuryl alcohol, >=97%, FG; Furan-2-methanol; ZINC1648266; EINECS 202-626-1; 2-Furanylmethanol; poly-furfuryl alcohol; Furan-2-yl-methanol; 2-Furfuryl alcohol; Furfuranol; F0001-2310; NCGC00259651-01; SBB004373; 767-EP2377849A2; .alpha.-Furfuryl alcohol; Qo furfuryl alcohol; TRANSGENIC LECM (FURFURYL ALCOHOL) (SEE ALSO FURFURYL ALCOHOL); Furfurylalcohol; STR01021; omega-hydroxypoly(furan-2,5-diylmethylene) macromolecule; 767-EP2377610A2; NSC8843; poly(furfuryl alcohol); fur-furyl alcohol |
C5H6O2 |
98.1 g/mol |
C1=COC(=C1)CO |
TCMBANKIN058618 |
Trichostachine |
ACon1_000155; 5-(1,3-benzodioxol-5-yl)-1-pyrrolidin-1-ylpenta-2,4-dien-1-one; 25924-78-1; Pyrrolidine, 1-[5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]-, (E,E)-; trichostachine; MEGxp0_000203; 54976-54-4; 5-(1,3-benzodioxol-5-yl)-1-pyrrolidin-1-yl-penta-2,4-dien-1-one; Pyrrolidine, 1-piperoyl-, (E,E)-; 5-(1,3-benzodioxol-5-yl)-1-1-pyrrolidinylpenta-2,4-dien-1-one; Pyrrolidine, 1-(5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)-; C10174; 1-(5-(1,3-Benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)pyrrolidine; (2E,4E)-5-(1,3-benzodioxol-5-yl)-1-1-pyrrolidinylpenta-2,4-dien-1-one; (2E,4E)-5-(1,3-benzodioxol-5-yl)-1-pyrrolidin-1-yl-penta-2,4-dien-1-one; (2E,4E)-5-(1,3-benzodioxol-5-yl)-1-pyrrolidin-1-ylpenta-2,4-dien-1-one; 1-[1-oxo-5(3,4-methylenedioxyphenyl)-2z,4 e-pentadienyl] pyrrolidine |
C16H17NO3 |
271.31 |
C1CCN(C1)C(=O)C=CC=CC2=CC3=C(C=C2)OCO3 |
TCMBANKIN058619 |
isochavicine |
KBio2_003371; AIDS024972; SPBio_002547; ZINC01529772; Piperidine, 1-[5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]-, (E,E)-; 1-[5-(3,4-Methylenedioxyphenyl)-1-oxo-2,4-pentadienyl]piperidine; DivK1c_000954; NSC242267; CCRIS 5572; Chavicine; UNII-95JV386FPD; AC1LU7IN; CAS-94-62-2; SCHEMBL119081; CHEMBL1395862; piperine; chavicine; isopiperine; (Z,Z)-1-(5-(1,3-Benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)piperidine; NCGC00016355-01; Chavicin; 95JV386FPD; 495-91-0; cis-Piperine; Piperidine, 1-[5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]-, (Z,Z)-; MXXWOMGUGJBKIW-PORYWJCVSA-N; (2Z,4Z)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one; ZINC5368587; Piperidine, 1-(5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)-, (Z,Z)-; 1-(5-(1,3-Benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)piperidine, (E,E)-; P49007_ALDRICH; BSPBio_000608; 7780-20-3; Piperidine, 1-[5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]-; 1-[5-(3,4-pentadienyl]piperidine; Piperin; Piperidine, 1-(5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)-, (E,E)-; Piperine (aliphatic); piperine ; SCHEMBL14171509; Spectrum2_000049; KBioSS_000803; 1-PIPEROYL-(E,E)-PIPERIDINE; ZINC5945454; IDI1_000954; (2E,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one; Piperidine, 1-(5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)-, (Z,E)-; NCGC00094872-03; Prestwick1_000474; 1-Piperoyl-piperidine; InChI=1/C17H19NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h2-3,6-9,12H,1,4-5,10-11,13H2/b6-2+,7-3; NCGC00094872-01; Piperidine, 1-piperoyl-, (E,E)-; Piperidine, 1-[5-(3,4-methylenedioxyphenyl)-1-oxo-2,4-pentadienyl]-; SR-01000638580-1; Piperidine,4-methylenedioxyphenyl)-1-oxo-2,4-pentadienyl]-; UNII-Z3C7H03C5M; KBio1_000954; BPBio1_000670; N-[(E,E)-piperoyl]-piperidine; 1-Piperoylpiperidine; Piperidine, 1-(5-(3,4-methylenedioxyphenyl)-1-oxo-2,4-pentadienyl)-; 5-(1,3-benzodioxol-5-yl)-1-piperidino-penta-2,4-dien-1-one; NCGC00094872-02; Z3C7H03C5M; (2Z,4E)-5-(2H-1,3-BENZODIOXOL-5-YL)-1-(PIPERIDIN-1-YL)PENTA-2,4-DIEN-1-ONE; piperidine, 1-[(2E,4E)-5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]-; NSC21727; 1-(5-(3,4-Methylenedioxyphenyl)-1-oxo-2,4-pentadienyl)piperidine; Spectrum_000323; (2Z,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one; 1,3-Benzodioxol-5-yl-1-oxo-2,4-pentadienyl-piperine; (E,E) 1-[5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]piperidine; (2E,4E)-5-(1,3-benzodioxol-5-yl)-1-(1-piperidyl)penta-2,4-dien-1-one; Piperidine, 1-(5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)-, (E,E)- (9CI); Spectrum4_000708; 1-Piperoylpiperidine, (E,E)-; KBio3_002015; Prestwick3_000474; AIDS-024972; Spectrum3_000868; KBio2_005939; Prestwick_398; Prestwick0_000474; Prestwick2_000474; Piperidine, 1-((2E,4E)-5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)-; (E,E)-1-piperoylpiperidine; FEMA No. 2909; SPBio_000177; C03882; 147030-08-8; N-[(E,E)-Piperoyl]piperidine; 80810_FLUKA; Piperoylpiperidine; 5-(1,3-benzodioxol-5-yl)-1-(1-piperidyl)penta-2,4-dien-1-one; Spectrum5_001507; 94-62-2; 1-[(2E,4E)-5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]piperidine; W290904_ALDRICH; NINDS_000954; BSPBio_002515; 5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one; 1-[(2E,4E)-5-(1,3-benzodioxol-5-yl)-2,4-pentadienoyl]piperidine; 1-[(2E,4E)-5-(1,3-benzodioxol-5-yl)penta-2,4-dienoyl]piperidine; Piperine; 5-(1,3-benzodioxol-5-yl)-1-piperidin-1-yl-penta-2,4-dien-1-one; Piperidine,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]-; KBioGR_001235; (2E,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidino-penta-2,4-dien-1-one; NSC 242267; AC1LU7IP; SDCCGMLS-0066693.P001; AI3-01439; NSC 21727; Isopiperine; KBio2_000803; Piperidine, 1-(5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)-; (2E,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-yl-penta-2,4-dien-1-one; CHEBI:28821; ST5307921; 30511-76-3; NSC-242267; SPECTRUM1500873; EINECS 202-348-0 |
C17H19NO3 |
285.34 g/mol |
C1CCN(CC1)C(=O)C=CC=CC2=CC3=C(C=C2)OCO3 |
TCMBANKIN058620 |
1-[1-oxo-3(3,4-methylenedioxyphenyl)-2z-propenyl]piperidine |
|
|
|
C1CCN(CC1)C(=O)C=CC2=CC3=C(C=C2)OCO3 |
TCMBANKIN058621 |
1-[1-oxo-9(3,4-methylenedioxyphenyl)-2 e,8 e-nonadienyl] piperidine |
1-[1-oxo-9(3,4-methylenedioxyphenyl)-2e,8 e-nonadienyl] piperidine |
|
|
C1CCN(CC1)C(=O)C=CCCCCC=CC2=CC3=C(C=C2)OCO3 |
TCMBANKIN058622 |
piperoleine a |
Piperidine, 1-[7-[3,4-(methylenedioxy)phenyl]-6-heptenoyl]-, (E)-; Piperidine, 1-[7-(1,3-benzodioxol-5-yl)-1-oxo-6-heptenyl]-, (E)-; (6E)-7-(2H-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)hept-6-en-1-one; Piperolein A; CHEMBL1086887; (E)-Piperolein A; ZINC13838497; Piperolein A, >=90% (LC/MS-UV); 6-Hepten-1-one, 7-(1,3-benzodioxol-5-yl)-1-(1-piperidinyl)-, (6E)-; Piperoleine A; Piperidine, 1-[(6E)-7-(1,3-benzodioxol-5-yl)-1-oxo-6-heptenyl]-; MCULE-4732915157; 7-(3',4'-Methylenedioxyphenyl)-6E-heptenoic acid piperidylamide; MolPort-019-937-397; (E)-7-(Benzo[d][1,3]dioxol-5-yl)-1-(piperidin-1-yl)hept-6-en-1-one; NP-016314; MIWPBXQTBYPJEF-XBXARRHUSA-N |
C19H25NO3 |
315.4 g/mol |
C1CCN(CC1)C(=O)CCCCC=CC2=CC3=C(C=C2)OCO3 |
TCMBANKIN058623 |
piperoleine b |
piperolein b |
C21H29NO3 |
343.5 g/mol |
C1CCN(CC1)C(=O)CCCCCCC=CC2=CC3=C(C=C2)OCO3 |
TCMBANKIN058628 |
PIP |
643602_ALDRICH; LS-3053; CHEBI:18049; EINECS 203-813-0; NCIOpen2_007828; CCRIS 967; W290807_ALDRICH; Hexazane; Piperidine [UN2401] [Corrosive]; InChI=1/C5H11N/c1-2-4-6-5-3-1/h6H,1-5H; Piperidin [German]; Hexahydropyridine; FEMA No. 2908; 411027_ALDRICH; Perhydropyridine; AI3-24114; 80640_FLUKA; Pentamethylenimine; Pyridine, hexahydro-; Cyclopentimine; Piperidine solution; Piperidine; UN2401; 571261_SIAL; 80645_FLUKA; C01746; Pentamethyleneimine; Cypentil; Azacyclohexane; ST5213814; 33537_RIEDEL; HSDB 114; Piperidine on Rasta Resin; 104094_SIAL; 110-89-4; NCIMech_000312;BG00956967; BCP0726000204; AN-3762; DTXSID30705359; (7bR,10aR)-2,3,4,7B,8,9,10,10a-Octahydro-1H-cyclopenta[b][1,4]diazepino[6,7,1-hi]indolehydrochloride; CO-124; AX8163273; (11R,15R)-7,10-DIAZATETRACYCLO[8.5.1.0?,(1)?.0(1)(1),(1)?]HEXADECA-1(16),2,4-TRIENE HYDROCHLORIDE; WAY163909-HCl; (7BR,10AR)-2,3,4,7B,8,9,10,10A-OCTAHYDRO-1H-CYCLOPENTA[B][1,4]DIAZEPINO[6,7,1-HI]INDOLE HYDROCHLORIDE; AKOS016002206; 428868-35-3; PS-J-141; AK-38565; (7bR,10aR)-1,2,3,4,8,9,10,10a-Octahydro-7bH-cyclopenta[b][1,4]diazepino[6,7,1-hi]indole--hydrogen chloride (1/1); (11R,15R)-7,10-DIAZATETRACYCLO[8.5.1.0?,(1)?.0(1)(1),(1)?]HEXADECA-1,3,5(16)-TRIENE HYDROCHLORIDE; KB-277464; (7bR,10aR)-1,2,3,4,8,9,10,10a-Octahydro-7bH-cyclopenta[b][1,4]diazepino[6,7,1-hi]indole hydrochloride; (7BR,10AR)-2,3,4,7B,8,9,10,10A-Octahydro-1H-cyclopenta[b][1,4diazepino][6,7,1-HI]indole hydrochloride;piperidine |
C5H11N |
85.15 g/mol |
C1CCNCC1 |
TCMBANKIN058704 |
lupeol |
AC-1371; AKOS015960466; SCHEMBL14067725; 4CN-0933; C08628; BC201808; Lup-20(29)-en-3.beta.-ol; NSC90487; ZINC04081455; D0RA6H; Lupeol; LMPR01060013; lupeol ; Monogynol B; .beta.-Viscol; NCI60_042005; lup-20(29)-en-3beta-ol; Lupenol |
C30H50O |
426.7 g/mol |
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C |
TCMBANKIN058706 |
betulin |
AKOS025402304; Ambotz473-98-3; betulin ; AC-7983; SCHEMBL9888462; (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13bR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-1H-cyclopenta[a]chrysen-9-ol; FVWJYYTZTCVBKE-MAIYTPNSSA-N; ; Trochol; 18211-63-7; C08618; Messagenin; 473-98-3; AIDS002710; B9757_SIGMA; ZINC03978650; Prestwick3_000990; Betulin; MEGxp0_001726; AI3-62999; BSPBio_001059; Lup-20(30)-ene-3beta,28-diol; C08631; Betulinol; ACon1_000091; AIDS-002710; Lup-20(29)-ene-3beta,28-diol; BPBio1_001165; Betuline; Lup-20(29)-ene-3,28-diol, (3beta)-; NSC 4644; (3.beta.)-Lup-20(29)-ene-3,28-diol; NSC692218; EINECS 207-475-5; Betulinic alcohol; ST5411404; Trochol |
C30H50O2 |
442.7g/mol |
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)CO |
TCMBANKIN058851 |
linalool |
Spectrum5_000393; KBioGR_002294; KBio2_003260; KBio2_000692; (3R)-3,7-dimethylocta-1,6-dien-3-ol; W263516_ALDRICH; ZINC01529820;beta-linalool;NSC-3789; AK-50127; (+/-)-3,7-Dimethyl-1,6-octadien-3-ol; ACMC-209pf1; D0X5DC; Linalool Solution, 1000 mg/L, 1 ml (RM, ISO GUIDE 34); Linalool, primary pharmaceutical reference standard; CDOSHBSSFJOMGT-UHFFFAOYSA-N; AC1L1MRY; Howood Oil; 1,6-Octadien-3-ol, 3,7-dimethyl-, (3S)-; KSC377K8J; AC1Q1NVD; KB-179981; (+/-) LINALOOL; NCGC00259207-01; 3,6-dien-3-ol; AI3-00942; HSDB 645; (S)-Linalol; 2,7-Octadien-6-ol, 2,6-dimethyl-; 2,6-Dimethylocta-2,7-dien-6-ol; Linalool ex orange oil; (?)-3,7-Dimethyl-1,6-octadien-3-ol; DB-062552; I14-13929; FT-0614785; FCH1115719; Tox21_201658; 11024-20-7; BB_NC-00123; MolPort-001-783-101; LS-97796; 2,6-Dimethyl-2,7-octadien-6-ol; Linalool (natural); L0048; Linalool; BRN 1721488; 2,7-octadiene-6-ol; DSSTox_RID_77812; 3,7-Dimethyl-1,6-octadien-3-ol; BC207603; STL373777; AC1Q2BP3; FEMA No. 2635; ANW-37211; MCULE-2407576698; 3,6-octadien-3-ol; Natural Linalool; Linalool b; SCHEMBL20316; BBL027734; EINECS 204-811-2; LINALOOL (+); CU-01000013132-2; LINOLOOL (D); ST069326; dl-3,7-Dimethyl-3-hydroxy-1,6-octadiene; NSC 3789; CHEBI:17580; Linalool ex ho oil; Linalool, 97%; (.+/-.)-Linalool; allo-Ocimenol; GTPL2469; CCRIS 6557; ( -)-Linalool; BG00600803; NCGC00257060-01; C03985; EINECS 201-134-4; HMS2268E18; Tox21_303037; Phantol; (+-)-Linalool; SBB012353; SMR000112394; DTXSID7025502; (R)-3,7-Dimethyl-1,6-octadien-3-ol; DL -3,7-Dimethyl-3-hydroxy-1,6-octadiene; BB_NC-0123; NCGC00091688-04; (+/-)-3,7-Dimethyl-3-hydroxy-1,6-octadiene; CHEMBL25306; MLS002152908; WLN: 1Y1&U3XQ1&1U1 -,-; LINALYL ALCOHOL; Q-201306; 0-01-00-00462 (Beilstein Handbook Reference); SC-74998; CAS-78-70-6; (+/-)-linalool; LINALOOL EX BOIS DE ROSE; RTR-030706; NCGC00091688-02; Linalool, analytical standard; MFCD00008906; 1,6-OCTADIEN-3-OL, 3,7-DIMETHYL-, (-)-; Linalool, >=97%, FCC, FG; AC-551; Linolool; NSC3789; Linalool, certified reference material, TraceCERT(R); FEMA Number 2635; AKOS015901617; 3,7-Dimethyl-1, 6-octadien-3-ol; p-Linalool; Linalool ex bois de rose oil; FEMA 2635; DSSTox_CID_5502; .beta.-Linalool; EC 201-134-4; TR-030706; CTK2H7584; LS-1752; KS-00000WLW; 3,7-Dimethylocta-1,6-dien-3-ol; DSSTox_GSID_25502; WLN: 1U1XQ1&3UY1&1; 1,6-Octadien-3-ol, 3,7-dimethyl-; ( )-linalool; CCRIS 3726; Linanool; 78-70-6; NCGC00091688-03; Caswell No. 526A; AN-22986; 2,6-Dimethyl-2,7-octadiene-6-ol; (RS)-Linalool; RP21877; (1)-3,7-Dimethyl-1,6-octadien-3-ol; AN-15757; AC1Q1NVE; LINALOOL, (+-)-; NCGC00091688-01; Linalol; beta-Linalool; EINECS 245-083-6; 22564-99-4; Linalool, .beta.; 2,7-dien-6-ol; EPA Pesticide Chemical Code 128838; 1, 3,7-dimethyl-, (-)-; 3,7-dimethyl-octa-1,6-dien-3-ol;L-linalool;CJ-23937; Spectrum5_000393; LMPR0102010013; AKOS028109218; linalool ; Linalool; 1,6-Octadien-3-ol,3,7-dimethyl-, (3R)-; (R)-3,7-Dimethyl-1,6-octadien-3-ol; AC1L9E4Q; KBioGR_002294; (R)-3,7-dimethylocta-1,6-dien-3-ol; KBio2_003260; Epoxydihydrolinalool; KBio2_000692; (3R)-3,7-dimethylocta-1,6-dien-3-ol; ZINC1529820; Spectrum4_001777; C11388; linalool oxide; 126-91-0; 3U21E3V8I2; KBio3_002285; CCG-38497; CTK8F1408; KBio2_005828; KBioSS_000692; (-)-Linalool; EINECS 204-811-2; (-)-3,7-dimethyl-1,6-octadien-3-ol; LINALOOL (+); (3R)-Linalool; L-LINALOOL, REF. IND.-14<F128><144><F255>; CHEMBL235672; CHEBI:28; SpecPlus_000909; SCHEMBL891312; (-)-Linalool, analytical standard; UNII-3U21E3V8I2; KBio1_001949; J-005448; MolPort-003-666-060; NCGC00095658-01; FT-0772303; BSPBio_002785; SDCCGMLS-0066889.P001; UNII-D81QY6I88E component CDOSHBSSFJOMGT-JTQLQIEISA-N; L-Linalool; 1,6-OCTADIEN-3-OL, 3,7-DIMETHYL-, (-)-; L-Linalool, natural, >=95%, FG; SPBio_002007; Spectrum3_001173; 1,6-Octadien-3-ol, 3,7-dimethyl-, (3R)-; NCGC00095658-02; SPECTRUM1501212; SMP2_000331; (-)-Linalool, >=95.0% (sum of enantiomers, GC); Linalool, (-)-; 3R,7-dimethylocta-1,6-dien-3-ol; DivK1c_007005; (R)-linalool; (R)-(-)-3,7-Dimethyl-1,6-octadien-3-ol; DTXSID40872607; laevo-linalool; MFCD00135469; Spectrum2_001944; I14-45868; (3R)-3,7-dimethyl-1,6-octadien-3-ol; Spectrum_000212; (R)-(-)-Linalool |
C10H18O |
154.25 g/mol |
CC(=CCCC(C)(C=C)O)C |
TCMBANKIN058907 |
Azeton |
ACETONE; 673781_ALDRICH; Methyl ketone; Propanon; propan-2-one; C00207; W332615_ALDRICH; Pyroacetic acid; 40308_RIEDEL; 67-64-1; EPA Pesticide Chemical Code 004101; propanone; CHEBI:15347; dimethylcetone; ST5214392; HSDB 41; 414689_ALDRICH; Acetone [UN1090] [Flammable liquid]; 323772_ALDRICH; Chevron acetone; 320110_SIAL; c0556; 154598_SIAL; EINECS 200-662-2; Aceton [German, Dutch, Polish]; Dimethylketal; 00561_FLUKA; Dimethylketon; 34850_SIAL; 2-propanone; Acetone (TN); 179973_ALDRICH; Dimethylformaldehyde; dimethylketone; WLN: 1V1; Acetone (NF); ZINC00895111; RCRA waste number U002; 24201_RIEDEL; Aceton; RCRA waste no. U002; 179124_SIAL; 34480_RIEDEL; FEMA No. 3326; UN1090; Pyroacetic ether; Ketone, dimethyl-; 270725_ALDRICH; 534064_ALDRICH; 90872_FLUKA; Ketone, dimethyl; Caswell No. 004; 32201_RIEDEL; D02311; InChI=1/C3H6O/c1-3(2)4/h1-2H; Dimethyl ketone; AI3-01238; NCGC00091179-01; Dimethyl formaldehyde; 40289_RIEDEL; W332607_ALDRICH; Ketone propane; NSC135802; NSC 135802; .beta.-Ketopropane; beta-Ketopropane; 650501_ALDRICH; CCRIS 5953; Acetone (natural); 443638_SIAL; 439126_ALDRICH;acetone |
C3H6O |
58.08 |
CC(=O)C |
TCMBANKIN058923 |
paeonol |
CBiol_000986; 2′-Hydroxy-4′-methoxyacetophenone; KBio3_002432; SPBio_002161; InChI=1/C9H10O3/c1-6(10)8-4-3-7(12-2)5-9(8)11/h3-5,11H,1-2H; Spectrum3_001686; 1-(2-hydroxy-4-methoxy-phenyl)ethanone; paeonol ; H35803_ALDRICH; ST5331356; NCGC00095977-01; SPECTRUM1601021; AIDS-002237; AIDS002237; Resacetophenone-4-methyl ether; 2-Hydroxy-4-methoxyacetophenone; Spectrum2_001981; Paeonol; 1-(2-Hydroxy-4-methoxyphenyl)ethanone; AI3-10581; BSPBio_003212; Peonol; 4-08-00-01793 (Beilstein Handbook Reference); C10712; 1-[2-hydroxy-4-(methyloxy)phenyl]ethanone; 2-Acetyl-5-methoxy-phenol; Acetophenone, 2'-hydroxy-4'-methoxy- (7CI,8CI); NSC 401442; Paeonal; SDCCGMLS-0066845.P001; ZINC00001906; Resacetophenone, 4-O-methyl ester; Ethanone, 1-(2-hydroxy-4-methoxyphenyl)-; 4-O-Methylresacetophenone; Acetophenone, 2'-hydroxy-4'-methoxy-; 2-hydroxy-4-methoxyacetophenone; 2'-Hydroxy-4'-methoxyacetophenone; ICCB4_000282; BRN 1282794; EINECS 209-012-2; Ethanone, 1-(2-hydroxy-4-methoxyphenyl)- (9CI); 552-41-0; 2'-hydroxy-4'-methoxyacetophenone; NSC401442; KBio3_002432; Paeonol (Peonol); CHEMBL1079227; SPECTRUM1601021; AKOS000119646; RTC-067540; M-2917; UILPJVPSNHJFIK-UHFFFAOYSA-N; Resacetophenone-4-methyl ether; BBL012127; 1-(2-Hydroxy-4-methoxyphenyl)ethanone; ST45027685; 1-(2-hydroxy-4-methoxyphenyl)ethane-1-one; UNII-3R834EPI82; Resacetophenone, 4-O-methyl ester; 4CN-0677; SR-05000002397-1; EINECS 209-012-2; FT-0618875; 2-acetyl-5-methoxyphenol; Ethanone, 1-(2-hydroxy-4-methoxyphenyl)- (9CI); 552-41-0; AC1Q48VO; TRA0005840; SY013508; MCULE-2846207321; Paeonolum; 1-(2-hydroxy-4-methoxyphenyl)-ethanone; AB0044007; MolPort-001-537-637; SCHEMBL1449478; CCG-39471; AN-1408; 2;-Hydroxy-4;-methoxyacetophenone; CP0063; KSC490C8B; HMS3656E07; C10712; 1-[2-hydroxy-4-(methyloxy)phenyl]ethanone; AC1Q48VN; ACN-027221; SDCCGMLS-0066845.P001; KB-146762; FT-0602529; MLS006011902; CHEBI:69581; SMR000112386; Acetophenone, 2'-hydroxy-4'-methoxy-; 2'-Hydroxy-4'-methoxyacetophenone; CTK3J0180; AM20040702; BB_SC-2796; CBiol_000986; BRD-K94239562-001-02-2; InChI=1/C9H10O3/c1-6(10)8-4-3-7(12-2)5-9(8)11/h3-5,11H,1-2H; AS05193; Q-100626; 1-(2-Hydroxy-4-methoxyphenyl)ethanone #; HY-N0159; STK078097; I06-0541; MFCD00008730; NSC-401442; 3R834EPI82; KS-000004VU; PubChem3271; AK-79421; SR-05000002397; 1-(2-hydroxy-4-methoxy-phenyl)-ethanone; TC-067540; 4-Methoxy-2-hydroxyacetophenone; Acetophenone, 2'-hydroxy-4'-methoxy- (7CI,8CI); LS-101156; AJ-08110; 552H410; Paeonal; NSC 401442; SC-05288; N1847; 1-(2-hydroxy-4-methoxyphenyl)ethan-1-one; BDBM50310718; AS-15489; 4-O-Methylresacetophenone; NCGC00095977-02; ICCB4_000282; ACT07801; NSC401442; SPBio_002161; AC1L1WLK; Spectrum3_001686; 1-(2-hydroxy-4-methoxy-phenyl)ethanone; 4-methoxy 2-hydroxy acetophenone; ACMC-209lls; s2339; ST24021015; NCGC00095977-01; PAEONOL; ANW-32270; 2-HYDROXY-4-METHOXYACETOPHENONE (4,4,4-D3); 2-Hydroxy-4-methoxyacetophenone; Spectrum2_001981; AI3-10581; BSPBio_003212; Peonol; 4-08-00-01793 (Beilstein Handbook Reference); 2-Acetyl-5-methoxy-phenol; 1-acetyl-2-hydroxy-4-methoxybenzene; NCGC00095977-03; CJ-00070; Ethanone, 1-(2-hydroxy-4-methoxyphenyl)-; DTXSID1022059; AC-7982; BRN 1282794; SBB066134; ZINC1906; ACN-S003528; 4'-Methoxy-2'-hydroxyacetophenone; 1-(4-Methoxy-2-hydroxy-phenyl)-ethanone; RP02462; P565; 2'-Hydroxy-4'-methoxyacetophenone, 99%; ethanone,1-(2-hydroxy-4-methoxyphenyl)-; peonol; Ethanone,1-(2- Hydroxy- 4- methoxyphenyl); 1-(2-hydroxy-4-methoxyphenyl)-ethanone; paeonal |
C9H10O3 |
166.17 g/mol |
CC(=O)C1=C(C=C(C=C1)OC)O |
TCMBANKIN058936 |
Hypnon |
1-Phenylethanone; InChI=1/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H; C07113; Acetylbenzene; ZINC00896628; Ethanone, 1-phenyl-; Acetophenon; 00790_FLUKA; Ketone, methyl phenyl; WLN: 1VR; 442438_SUPELCO; Methyl phenyl ketone; Usaf ek-496; 42163_FLUKA; Ketone, methyl phenyl-; Benzoyl methide; AI3-00575; AIDS-017929; W200905_ALDRICH; FEMA Number 2009; RCRA waste number U004; FEMA No. 2009; Phenyl methyl ketone; NSC 7635; RCRA waste no. U004; NSC7635; A10701_ALDRICH; 98-86-2; CCRIS 1341; AC0; Acetophenone; ST5213401; EINECS 202-708-7; CHEBI:27632; Hypnone; 1-phenylethan-1-one; HSDB 969; Benzoylmethide; 1-Phenyl-1-ethanone; Benzene, acetyl-; c0117; AIDS017929; Acetofenon [Czech]; Acetylbenzol;1-(Phenyl-D5)-Ethanon; NSC 98542-d5; 1-[(2,3,4,5,6-(2)H?)PHENYL]ETHANONE; Acetophenone-(phenyl-d5), 99 atom % D; ACM28077647; DTXSID70466417; Acetophenone-2',3',4',5',6'-d5; Acetophenon-d5; pentadeuterophenyl methyl ketone; FT-0661057; Acetylbenzene-d5; Hypnone-d5; MFCD00064446; 1-(Phenyl-d5)ethanone; 1-(2,3,4,5,6-pentadeuteriophenyl)ethanone; Acetophenone-2/',3/',4/',5/',6/'-d5; SCHEMBL1332185; Methyl (Phenyl-d5) Ketone; DE155; J-016964; 28077-64-7; 1-(Phenyl-d5)-1-ethanone; MolPort-003-929-975; NSC 7635-d5; (Phenyl-d5) Methyl Ketone; Acetophenone-(phenyl-d5); Acetophenone-d5; Acetophenone-2 inverted exclamation marka,3 inverted exclamation marka,4 inverted exclamation marka,5 inverted exclamation marka,6 inverted exclamation marka-d5; Hypnon-d5; 1-Feniletanone-d5; Acetophenone-(phenyl-d5) 99 atom % D; 1-Phenylethanone-d5; Acetophenone-2'3'4'5'6-d5;phenyl-ethanone;acetophenone;phenylethanone;1-phenylethanone |
C8H8O |
120.15 g/mol |
CC(=O)C1=CC=CC=C1 |
TCMBANKIN059206 |
cryptone |
InChI=1/C9H14O/c1-7(2)8-3-5-9(10)6-4-8/h3,5,7-8H,4,6H2,1-2H; (4R)-4-isopropyl-1-cyclohex-2-enone; (4R)-4-propan-2-ylcyclohex-2-en-1-one; (4R)-4-isopropylcyclohex-2-en-1-one;Cryptone, L-; Cryptone (compound); 2158-61-4; 106440-18-0; Crypton; SCHEMBL440040; Cryptone; 2-Cyclohexen-1-one, 4-(1-methylethyl)-; EINECS 207-898-5; 4-Isopropyl-2-cyclohexenone; AANMVENRNJYEMK-UHFFFAOYSA-N; 500-02-7; Cyclohexenone, 4-(1-methylethyl)-; 4-iso-Propyl-2-cyclohexenone; CRYPTONE,L-; 4-(propan-2-yl)cyclohex-2-en-1-one; 4-Isopropyl-2-cyclohexen-1-one; (R)-Cryptone; AKOS028113278; NSC22060; 2-Cyclohexen-1-one, 4-isopropyl-; AC1Q6CQF; CTK0D7235; ACMC-20c6ik; AN-21423; 4-(1-Methylethyl)-2-cyclohexen-1-one; NSC-22060; ?cryptone ; AC1L3OTJ; 21293-23-2; NSC 22060; Kryptone; 4-Isopropylcyclohex-2-enone; 4-propan-2-ylcyclohex-2-en-1-one; 4-Isopropylcyclohex-2-en-1-one;4-isopropylcyclohex-2-en-1-one |
C9H14O |
138.21 g/mol |
CC(C)C1CCC(=O)C=C1 |
TCMBANKIN059208 |
trans-p-2-Menthen-1-ol |
(1S,4R)-4-isopropyl-1-methyl-cyclohex-2-en-1-ol; trans-p-2-menthen-1-ol; (1S,4R)-4-isopropyl-1-methyl-1-cyclohex-2-enol; (1S,4R)-1-methyl-4-propan-2-ylcyclohex-2-en-1-ol; (1S,4R)-1-methyl-4-propan-2-yl-cyclohex-2-en-1-ol;2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethyl)-, trans-; 2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethyl)-, (1R,4S)-rel-; (1R,4S)-4-isopropyl-1-methyl-cyclohex-2-en-1-ol; EINECS 249-859-5; trans-1-Methyl-4-(1-methylethyl)-2-cyclohexen-1-ol; 29803-81-4; (1R,4S)-1-methyl-4-propan-2-ylcyclohex-2-en-1-ol; (1R,4S)-1-methyl-4-propan-2-yl-cyclohex-2-en-1-ol; (1R,4S)-4-isopropyl-1-methyl-1-cyclohex-2-enol; 117064-02-5;trans-4-(Isopropyl)-1-methylcyclohex-2-en-1-ol |
C10H18O |
154.25 |
CC(C)C1CCC(C=C1)(C)O |
TCMBANKIN059253 |
Hexahydro-farnesyl acetone |
hexahydro-farnesylacetone; 6,10,14-trimethyl-2-pentadecanone; 6, 10, 14-trimethyl-2-pentadecanone; (6S,10S)-6,10,14-trimethylpentadecan-2-one; 2-pentadecanone,6,10,14-trimethyl-; phytone; 6,10,14-TRIMETHYL-2-PENTADECANONE; hexahydro-farnesyl-acetone; 6,10,14-trimethyl-pentadecan-2-one; C-25231; MFCD00065420; ST049442; 13955-74-3; 2-pentadecanone, 6,10,14-trimethyl; 502-69-2; MCULE-5164481361; AC1Q5H6P; PHYTONE; 6,10,14-Trimethylpentadeca-2-one; 6,10,14-trimethyl pentadecan-2-one; STK761211; OR13502; AN-21434; CTK4J2356; MolPort-001-758-493; (R,R)-Phytone; ZX-AT021772; 2-Pentadecanone,6,10,14-trimethyl-; Hexahydrofarnesyl acetone; 6,10,14-trimethyl-2-pentadecanon; Fitone; AKOS016347358; Hexahydrofarnezylacetone; SBB012620; ZERO/001268; CC-29299; Hexahydrofarnesylacetone; 36116P; 2-Pentadecanone, 6,10,14-trimethyl-; 6,10,14-trimethyl-pentadecane-2-one; W-109084; SCHEMBL716506; Phytol ketone; AKOS001727037; SR-01000526355-1; FT-0632240; SR-01000526355; KB-85744; 6,10,14-Trimethylpentadecan-2-one; hexahydrofarnesylacetone; WHWDWIHXSPCOKZ-UHFFFAOYSA-N; EINECS 207-950-7; AC1L1V4Z; hexahydrofarnesylacetone; 6,10,14-trimethyl-2-pentadecanone; 6,10,14-trimethyl-2-Pentadeeanone; hexahydrofarnesyl acetone; 6,10,14-Trimethylpentadecan-2-one; 2-Pentadecanone, 6,10,14-trimethy-; 6, 10, 14- trimethyl- 2- pentadecanone; (6R,10R)-6,10,14-trimethylpentadecan-2-one; ZINC02169908; 6,10,14-trimethylpentadecan-2-one; 2-pentadecanone,6,10,14-trimethyl; Phytone; hexahydrofarnesyl acetone; perhydrofarnesyl acetone; FITONE |
C18H36O |
268.5 g/mol |
CC(C)CCCC(C)CCCC(C)CCCC(=O)C |
TCMBANKIN059272 |
diisobutyl phthalate |
di-isobutyl phthalate;ST5405544; diisobutyl benzene-1,2-dicarboxylate; benzene-1,2-dicarboxylic acid diisobutyl ester; Di-iso-butyl phthalate; 80130_FLUKA; Isobutyl phthalate; bis(2-methylpropyl) benzene-1,2-dicarboxylate; (C4-C13) Branched alkyl alcohols, phthalic anhydride ester; ZINC00388318; EINECS 201-553-2; NSC15316; 1,2-Benzenedicarboxylic acid, bis(2-methylpropyl) ester; Diisobutyl phthalate; 152641_ALDRICH; EINECS 273-157-8; 68951-39-3; C15205; AI3-04278; Phthalic acid, diisobutyl ester; BRN 2054802; NCGC00091360-01; NSC 15316; WLN: 1Y1&1OVR BVO1Y1&1; 4-09-00-03177 (Beilstein Handbook Reference); Diisobutylester kyseliny ftalove [Czech]; Hexaplas M/1B; 1,2-Benzenedicarboxylic acid, C4-13-branched alkyl esters; AI3-04278 (USDA); Kodaflex DIBP; 68955-80-6; Hatcol DIBP; HSDB 5247; CCRIS 6193; di-l-butyl phthalate (DIBP); Di(i-butyl)phthalate; SMR000112470; MLS000516002; 84-69-5; Palatinol IC |
C16H22O4- C6H4[CO2CH2CH(CH3)2]2 |
278.34 g/mol |
CC(C)COC(=O)C1=CC=CC=C1C(=O)OCC(C)C |
TCMBANKIN059426 |
(E)- 1-(2,6,6- trimethyl- 1,3- cyclohexadien- 1-yl)- 2- buten- 1- one |
|
C13H18O |
190.28 g/mol |
CC=CC(=O)C1=C(C=CCC1(C)C)C |
TCMBANKIN059643 |
sandaracopimaric acid |
|
C20H30O2 |
302.5 g/mol |
CC1(CCC2C(=C1)CCC3C2(CCCC3(C)C(=O)O)C)C=C |
TCMBANKIN059836 |
thymol |
|
C10H14O |
150.22 |
CC1=CC(=C(C=C1)C(C)C)O |
TCMBANKIN059868 |
2-Cyclohexen-1-one,3-methyl-6-(1-methylethyl)-;piperitone |
|
C10H16O |
152.23 g/mol |
CC1=CC(=O)C(CC1)C(C)C |
TCMBANKIN059884 |
blumenol a |
|
C13H20O3 |
224.3 g/mol |
CC1=CC(=O)CC(C1(C=CC(C)O)O)(C)C |
TCMBANKIN059899 |
taraxanthin |
|
C40H56O3 |
584.9 g/mol |
CC1=CC(CC(C1C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC23C(CC(CC2(O3)C)O)(C)C)C)C)(C)C)O |
TCMBANKIN059912 |
p-cresol |
|
C7H8O |
108.14 g/mol |
CC1=CC=C(C=C1)O |
TCMBANKIN059917 |
methylbenzol |
|
C6H5CH3 |
92.14 g/mol |
CC1=CC=CC=C1 |
TCMBANKIN059922 |
o-cresol;Phenol, 2- methyl-;2-hydroxytoluene |
|
C7H8O |
108.14 g/mol |
CC1=CC=CC=C1O |
TCMBANKIN060181 |
azukisaponin v |
|
C48H78O18 |
943.1 g/mol |
CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(C(OC3OC4CCC5(C(C4(C)CO)CCC6(C5CC=C7C6(CCC8(C7CC(CC8O)(C)C)C)C)C)C)C(=O)O)O)O)CO)O)O)O)O)O |
TCMBANKIN060264 |
rutin |
|
C27H30O16 |
610.5 g/mol |
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O |
TCMBANKIN060679 |
stigmasterol |
|
C29H48O |
412.7 g/mol |
CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C |
TCMBANKIN060680 |
stigmasterol-3-glucoside |
|
C35H58O6 |
574.83 g/mol |
CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C |
TCMBANKIN060693 |
Sitogluside |
|
C35H60O6 |
576.85g/mol |
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C |
TCMBANKIN060717 |
Leaf acetate |
|
C8H14O2 |
142.2g/mol |
CCC=CCCOC(=O)C |
TCMBANKIN060759 |
Pentanone |
|
C5H10O |
86.13 g/mol |
CCCC(=O)C |
TCMBANKIN060768 |
BUA |
|
C4H8O2 |
88.11g/mol |
CCCC(=O)O |
TCMBANKIN060790 |
leaf aldehyde |
|
C6H10O |
98.14 g/mol |
CCCC=CC=O |
TCMBANKIN060842 |
3-octanone; EAK; methylheptanone |
|
C8H16O |
128.21 |
CCCCCC(=O)CC |
TCMBANKIN060846 |
Methyl hexoate |
|
C7H14O2 |
130.18 |
CCCCCC(=O)OC |
TCMBANKIN060849 |
(±)-erythro-1-(1-oxo-4,5-dihydroxy-2 e-decaenyl)piperidine |
|
|
|
CCCCCC(C(C=CC(=O)N1CCCCC1)O)O |
TCMBANKIN060863 |
sarmentine |
|
C14H23NO |
221.34 g/mol |
CCCCCC=CC=CC(=O)N1CCCC1 |
TCMBANKIN060864 |
N-isobutyl-decatrans-2-trans-4-dienamide |
|
C14H25NO |
223.35 g/mol |
CCCCCC=CC=CC(=O)NCC(C)C |
TCMBANKIN060879 |
Linolic acid |
|
C18H32O2 |
280.4 g/mol |
CCCCCC=CCC=CCCCCCCCC(=O)O |
TCMBANKIN060888 |
caproaldehyde |
|
C6H12O |
100.16 g/mol |
CCCCCC=O |
TCMBANKIN060896 |
Heptan |
|
C7H16 |
100.2 |
CCCCCCC |
TCMBANKIN060925 |
Methyl octylate |
|
C9H18O2 |
158.24 g/mol |
CCCCCCCC(=O)OC |
TCMBANKIN060933 |
2,4-dodecadienoic acid pyrrolidide |
|
C16H27NO |
249.39 |
CCCCCCCC=CC=CC(=O)N1CCCC1 |
TCMBANKIN060981 |
Methyl caprate |
|
C11H22O2 |
186.29 |
CCCCCCCCCC(=O)OC |
TCMBANKIN061029 |
myristic acid |
|
C14H28O2 |
228.37 |
CCCCCCCCCCCCCC(=O)O |
TCMBANKIN061030 |
Methyl myristate |
|
C15H30O2 |
242.4 g/mol |
CCCCCCCCCCCCCC(=O)OC |
TCMBANKIN061036 |
methyl pentadecanoate |
|
C16H32O2 |
256.42 |
CCCCCCCCCCCCCC(C)C(=O)O |
TCMBANKIN061037 |
1-pentadecene |
|
C15H30 |
210.4 g/mol |
CCCCCCCCCCCCCC=C |
TCMBANKIN061045 |
PENTADECYLIC ACID |
|
C15H30O2 |
242.4 g/mol |
CCCCCCCCCCCCCCC(=O)O |
TCMBANKIN061071 |
Ethylpalmitate |
|
C18H36O2 |
284.5 g/mol |
CCCCCCCCCCCCCCCC(=O)OCC |
TCMBANKIN061072 |
Glycerol alpha-Monopalmitate |
|
C19H38O4 |
330.5 g/mol |
CCCCCCCCCCCCCCCC(=O)OCC(CO)O |
TCMBANKIN061085 |
n-heptadecane;heptadecane;Heptadekan |
|
C17H36 |
240.5 g/mol |
CCCCCCCCCCCCCCCCC |
TCMBANKIN061086 |
Methyl margarate |
|
C18H36O2 |
284.48; 284.5 g/mol |
CCCCCCCCCCCCCCCCC(=O)OC |
TCMBANKIN061091 |
stearic acid |
|
CH3(CH2)16COOH |
284.5 g/mol |
CCCCCCCCCCCCCCCCCC(=O)O |
TCMBANKIN061093 |
ethyloctadecanoate |
|
C20H40O2 |
312.5 g/mol |
CCCCCCCCCCCCCCCCCC(=O)OCC |
TCMBANKIN061105 |
Eicosanoic acid |
|
C20H40O2 |
312.53 g/mol |
CCCCCCCCCCCCCCCCCCCC(=O)O |
TCMBANKIN061122 |
tricosane |
|
C23H48 |
324.63 g/mol |
CCCCCCCCCCCCCCCCCCCCCCC |
TCMBANKIN061131 |
PENTACOSANE |
|
C25H52 |
352.7 g/mol |
CCCCCCCCCCCCCCCCCCCCCCCCC |
TCMBANKIN061194 |
1-hexanol |
|
C6H14O |
102.17 g/mol |
CCCCCCO |
TCMBANKIN061255 |
Ethyl protocatechuate |
|
C9H10O4 |
182.17 |
CCOC(=O)C1=CC(=C(C=C1)O)O |
TCMBANKIN061257 |
catalase |
|
C9H10O3 |
166.17 g/mol |
CCOC(=O)C1=CC=C(C=C1)O |
TCMBANKIN061404 |
Clorius |
AI3-00525; NSC 9394; InChI=1/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H; 18344_FLUKA; benzoic acid methyl ester; AIDS-018029; Oil of Niobe; UN2938; ZINC00156868; AIDS018029; Methyl benzoate; CCRIS 5851; EINECS 202-259-7; Methyl benzoate [UN2938] [Keep away from food]; Essence of niobe; WLN: 1OVR; Clorius (VAN); Methylester kyseliny benzoove [Czech]; oniobe oil; 93-58-3; W268305_ALDRICH; FEMA No. 2683; Methyl benzenecarboxylate; 27614_RIEDEL; Benzoic acid, methyl ester; Methyl benzoate (natural); oxidate le; Methylbenzoate; NSC9394; Niobe oil; M29908_ALDRICH; W268313_ALDRICH; HSDB 5283; NCGC00091665-01;I01-2293; AC1L1O4G; MFCD00008421; Z19825577; benzoic acid methylester; Oxidate le; EC 202-259-7; NCGC00259381-01; UN2938; benzoic acid methyl; 102027-EP2371831A1; NCGC00256939-01; A844641; EINECS 202-259-7; NSC-9394; C20645; KSC487A6F; WLN: 1OVR; DSSTox_GSID_25572; Methyl benzenecarboxylate; Benzoic acid, methyl ester; Methyl benzoate, for synthesis, 98.0%; Methyl benzoate (natural); BB_SC-7167; UNII-6618K1VJ9T; AKOS000120640; Methylbenzoate; AN-42658; MCULE-3681534655; Methyl benzoate, analytical standard; AI3-00525; InChI=1/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H; TC-060464; DSSTox_RID_77836; ANW-75136; ZINC156868; SMR001216584; 102027-EP2272817A1; Methyl ester of benzoic acid; UN 2938; (benzoyloxy)methyl; Methylester kyseliny benzoove; 93-58-3; 102027-EP2301983A1; CHEMBL16435; KB-54731; SC-18079; J-522592; F0001-2239; 1082718-77-1; Niobe oil; NCGC00091665-01; CTK3I7062; NSC 9394; ST51015549; ACT10969; Methyl benzoate, 99%; CAS-93-58-3; BBL010502; CCRIS 5851; DSSTox_CID_5572; Methyl benzoate [UN2938] [Keep away from food]; 102027-EP2287940A1; Methyl benzoate [UN2938] [Keep away from food]; B0074; SCHEMBL7200; Essence of niobe; FEMA No. 2683; FT-0622713; Methyl benzoate, natural, >=98%, FCC, FG; STK021498; SBB058212; Tox21_303198; MLS001050185; SCHEMBL4790973; Tox21_201832; DTXSID5025572; Methyl benzoate, >=99% (GC); RP20261; 6618K1VJ9T; Methyl benzoate, >=98%, FCC, FG; AK-98161; benzoic acid methyl ester; METHYL BENZOATE; KS-00000VMQ; CHEBI:72775; methyloxycarbonylbenzene; AJ-13898; SCHEMBL10330498; ST24031184; 102027-EP2289965A1; Clorius; TRA0079771; Methylester kyseliny benzoove [Czech]; RTC-060464; Oil of niobe; ZB006457; ACMC-20aioi; NCGC00091665-02; LS-1945; MolPort-001-783-861; Oniobe oil; 102027-EP2275469A1; NSC9394; QPJVMBTYPHYUOC-UHFFFAOYSA-N; HSDB 5283 |
C8H8O2 |
136.15 |
COC(=O)C1=CC=CC=C1 |
TCMBANKIN061406 |
Nevoli oil |
2-(Methoxycarbonyl)aniline; FEMA No. 2682; 2-Aminobenzoic acid, methyl ester; AI3-01022; W268208_ALDRICH; CCRIS 1349; Methyl o-aminobenzoate; NCGC00091409-01; Anthranilic acid methyl ester; Methyl anthranilate; ZINC00157525; Methyl 2-aminobenzoate; o-Aminobenzoic acid, methyl ester; W268216_ALDRICH; Methylester kyseliny anthranilove [Czech]; 2-Carbomethoxyaniline; Neroli oil, artificial; WLN: ZR BVO1; 236454_ALDRICH; 2-Aminobenzoic acid methyl ester; Neroli oil, artifical; Epa Pesticide Chemical Code 128725; LS-775; 134-20-3; BRN 0606965; Anthranilic acid methylester; M29703_ALDRICH; Anthranilic acid, methyl ester; BENZOIC ACID METHYL ESTER,2-AMINO; Methyl anthranilate (natural); o-Aminobenzoic acid methyl ester; NSC 3109; HSDB 1008; Benzoic acid, 2-amino-, methyl ester; NSC3109; o-Carbomethoxyaniline; PS2055_SUPELCO; InChI=1/C8H9NO2/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5H,9H2,1H; EINECS 205-132-4; 10730_FLUKA; METHYLANTHRANILATE; BB_SC-2799; Amino methyl benzoate, o-;Methyl anthranilate;Neroli;Benzoic acid, 2-amino-, methyl ester;methylanthranilate |
C8H9NO2 |
151.16 |
COC(=O)C1=CC=CC=C1N |
TCMBANKIN061407 |
methyl salicylate |
NCGC00091106-02; Birch oil, sweet; Methyl salicylate (JP15/NF); Methylester kyseliny salicylove [Czech]; Gaultheriaoel; Spicewood Oil; Birch oil; InChI=1/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H; Betula Lenta; 4-10-00-00143 (Beilstein Handbook Reference); FEMA Number 2745; Theragesic; EPA Pesticide Chemical Code 076601; Panalgesic; 2-Hydroxybenzoic acid, methyl ester; 76631_FLUKA; 119-36-8; o-Hydroxybenzoic acid, methyl ester; 2-Carbomethoxyphenol; Teaberry oil; Metylester kyseliny salicylove [Czech]; M2047_SIAL; Methyl salicylate (natural); 84332_FLUKA; Analgit; Flucarmit; Methyl o-hydroxybenzoate; Sweet birch oil; Methyl salicylate (TN); Methyl salicylate [JAN]; Gaultheria oil; Wintergruenoel; Enamine_001611; Oil of Wintergreen; M6752_SIAL; Synthetic Wintergreen Oil; 8022-86-4; Betula oil; Gaultheria Oil, artificial; Betula; Wintergreen oil; Metylester kyseliny salicylove; 2-Hydroxybenzoic acid methyl ester; Exagien; EINECS 204-317-7; FEMA No. 2745; 2-(Methoxycarbonyl)phenol; WLN: QR BVO1; W215481_ALDRICH; LS-616; Caswell No. 577; AI3-00090; W274518_ALDRICH; NSC8204; Methyl 2-hydroxybenzoate; W311308_ALDRICH; Natural Wintergreen Oil; C12305; ZINC00000490; HSDB 1935; T0505-2596; Benzoic acid, 2-hydroxy-, methyl ester; Methyl salicylate; D01087; 8024-54-2; BRN 0971516; NSC 8204; NCGC00091106-01; Wintergreen Oil, synthetic; CCRIS 6259; Salicylic acid, methyl ester; Methyl hydroxybenzoate; salicylic acid,methyl ester; Gaultheriaoel |
C8H8O3 |
152.15 g/mol |
COC(=O)C1=CC=CC=C1O |
TCMBANKIN061529 |
6,7-dimethoxycoumarin |
6, 7-dimethoxycoumarin; 6, 7-dimethoxy coumarin; 6,7-dimethoxy-coumarin; 6, 7- dimethoxycoumarin; 6,7-Dimethoxy coumarin;6,7-dimethoxy-2h-1-benzopyran-2-one;C-10265; EINECS 204-369-0; 6,7-Dimethoxy-Benzopyran-2-one; Dimethyl esculetin; KS-00000W5Q; W-1779; C11H10O4; 6,7-Dimethoxy-Coumarin; AC1L1QYE; DTXSID10152640; ZINC00002067; 6,7-DIMETHOXYCOUMARIN; Esculetin 6,7-dimethyl ether; 6,7-Dimethoxycoumarine; RTR-003340; ST50319943; CJ-00079; BRN 0169572; TR-003340; Scoparin?; Escoparone; 6,7-dimethoxy-2-chromenone; Bio-0192; 6,7-Dimethoxy-2-benzopyrone; 6,7-Dimethoxy-chromen-2-one; BDBM50361374; CC-22351; 2H-1-Benzopyran-2-one,6,7-dimethoxy-; 2H-1-Benzopyran-2-one, 6,7-dimethoxy-; AKOS000277541; AB3000014; 6,7-Dimethoxybenzopyran-2-one; 6,7-Dimethoxy-2H-chromen-2-one #; OR345015; ACon1_002079; SR-01000631300-1; 6,7-Dimethoxy-2H-chromen-2-one; ST5319943; AN-43331; GUAFOGOEJLSQBT-UHFFFAOYSA-N; Scoparone; KSC241M7T; o,o-Dimethylesculetin; 5-18-03-00204 (Beilstein Handbook Reference); BRD-K16835051-001-02-0; Benzopyran-2-one, 6,7-dimethoxy-; SC-46088; PubChem13307; 120S081; 6,7-dimethoxychromen-2-one; H5841PDT4Y; C09311; 254886_ALDRICH; FT-0603321; MEGxp0_001422; Esculetin dimethyl ether; 6,7-Dimethylcoumarine; Scoparon; CHEMBL325864; AM20020282; CCG-41207; 120-08-1; IN1101; LS-55182; Dimethylaesculetin; I14-17932; Maybridge4_003009; SCHEMBL240777; AIDS026315; o-Methylisoscopoletin; Benzopyran-2-one, 6,7-dimethoxy- (9CI); MCULE-1591753422; ZB000476; N2328; AC-11197; Aesculetin dimethyl ether; Coumarin, 6,7-dimethoxy-; 6,7-Dimethylesculetin; 6,7-Dimethoxy-2H-1-benzopyran-2-one; Q-100099; CHEBI:9055; 6,7-dimethoxycoumarin; ZINC2067; BRD-K16835051-001-01-2; MolPort-000-881-854; MFCD00006871; UNII-H5841PDT4Y; HMS1529I17; AB0019685; Scopoletin methyl ether; ACMC-20am0m; scoparone ; AIDS-026315; o-Methylscopoletin; 6,7-Dimethoxycoumarin, 98%;scoparone |
C11H10O4 |
206.19 g/mol |
COC1=C(C=C2C(=C1)C=CC(=O)O2)OC |
TCMBANKIN061568 |
EUG |
4-vinyl-2-methoxy-phenol;2- methoxy—vinylphenol;2-Methoxy-4-vinylphenol;2-methoxy-4-vinylphenol;4-Hydroxy-3-methoxyvinylbenzene; 4-vinylguaiacol; 7786-61-0; FEMA No. 2675; EINECS 232-101-2; p-Vinyl guaiacol; Phenol, 4-ethenyl-2-methoxy-; W267511_ALDRICH; p-Vinylguaiacol; CPD-1072; ZINC01849800; 4-ethenyl-2-methoxy-phenol; 3-06-00-04981 (Beilstein Handbook Reference); 2-METHOXY-4-VINYL-PHENOL; BRN 2044521; LS-2530; 4-Hydroxy-3-methoxystyrene; 31853-85-7; Phenol, 2-methoxy-4-vinyl-; Vinylcatechol-O-methyl ether, P-; 2-Methoxy-4-vinylphenol; CCRIS 548; Guaiacol, 4-vinyl-; 4-ETHENYL-2-METHOXYPHENOL |
C9H10O2 |
150.17 |
COC1=C(C=CC(=C1)C=C)O |
TCMBANKIN061577 |
FER |
Ferulate; Coniferic acid; Cinnamic acid, 4-hydroxy-3-methoxy- (8CI); KBio1_001587; Spectrum5_000554; SDCCGMLS-0066667.P001; NCGC00094889-02; AIDS017864; 3-methoxy-4-hydroxy-trans-cinnamic acid; CCRIS 3256; trans-4-Hydroxy-3-methoxycinnamic acid; 97274-61-8; (E)-4'-Hydroxy-3'-methoxycinnamic acid; Cinnamic acid, 4-hydroxy-3-methoxy-, (E)-; SBB000326; Cinnamic acid, 4-hydroxy-3-methoxy-; NCGC00094889-03; InChI=1/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13; 3-(4-Hydroxy-3-methoxyphenyl)acrylic acid; SMR000112202; 4-Hydroxy-3-methoxycinnamic acid; 3-Methoxy-4-hydroxy-trans-cinnamate; Ferulic acid, trans-; 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid; Spectrum2_001394; KBio3_002388; 4-Hydroxy-3-methoxy cinnammic acid; 1135-24-6; CHEBI:17620; transferulic acid NCGC00094889-01; EINECS 208-679-7; Spectrum3_001434; NCI60_002312; NSC51986; Ferulic acid dehydrogenation homopolymer; EINECS 214-490-0; CCRIS 7575; KBio2_006872; KBio2_004304; FERULOATE; 537-98-4; Spectrum_001256; caffeic acid 3-methyl ether; 128708_ALDRICH; Cinnamic acid, 4-hydroxy-3-methoxy-, trans-; NSC 674320; 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, (E)- (9CI); MLS001066385; 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-; BSPBio_003168; NSC2821; SPBio_001408; 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, (E)-; 46278_FLUKA; (E)-Ferulic acid; (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoic acid; 3-methoxy-4-hydroxycinnamic acid; FERULIC-ACID; SpecPlus_000547; KBioSS_001736; AIDS-017864; Spectrum4_001897; (E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid; 3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid homopolymer; SPECTRUM1501017; FERULIC ACID (TRANS); 3-(4-hydroxy-3-methoxy-phenyl)acrylic acid; (E)-3-(4-hydroxy-3-methoxy-phenyl)acrylic acid; (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid; DivK1c_006643; C01494; KBioGR_002459; 3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid; NSC 51986; 3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoic acid; ferulic acid; KBio2_001736; CINNAMIC ACID,4-HYDROXY,3-METHOXY FERULIC ACID; NSC 2821; W518301_ALDRICH; (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid; Trans-ferulic acid; 3-methoxy-4-hydroxycinnamic acid |
C10H10O4 |
194.18 g/mol |
COC1=C(C=CC(=C1)C=CC(=O)O)O |
TCMBANKIN061585 |
Ferulaldehyde |
AIDS097066; AIDS-097066; ferulaldehyde ; 382051_ALDRICH; 4-Hydroxy-3-methoxycinnamaldehyde; (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal; 2-Propenal, 3-(4-hydroxy-3-methoxyphenyl), (E)-; 3-(4-hydroxy-3-methoxy-phenyl)prop-2-enal; 3-(4-hydroxy-3-methoxy-phenyl)acrolein; (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enal; InChI=1/C10H10O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-7,12H,1H3/b3-2; CHEBI:16547; C02666; (E)-3-(4-hydroxy-3-methoxy-phenyl)acrolein; 458-36-6; Coniferyl aldehyde; ferulaldehyde; 3-(4-hydroxy-3-methoxyphenyl)prop-2-enal; Coniferaldehyde; coniferylaldehyde; coniferaldehyde; trans-coniferyl aldehyde; coniferyl aldehyde; ferulylaldehyde; (E)-ferulaldehyde |
C10H10O3 |
178.18 |
COC1=C(C=CC(=C1)C=CC=O)O |
TCMBANKIN061599 |
3'-Methoxydaidzein |
7,4'-dihydroxy-3'-methoxyisoflavone; 4H-1-Benzopyran-4-one,7-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-; CHEBI:65780; MolPort-039-063-534; 7-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-one; DTXSID30176328; 3/'-Methoxydaidzein; 7-hydroxy-3-(4-hydroxy-3-methoxy-phenyl)chromone; SCHEMBL2069826; ZINC5999157; CHEMBL450602; 4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-; AC1NSY21; LMPK12050057; 7-hydroxy-3-(4-hydroxy-3-methoxyphenyl)chromen-4-one; 3'-methoxydaidzein; AKOS025288163; 7-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-4-chromenone; 4',7-dihydroxy-3'-methoxyisoflavone; BG01576586; 21913-98-4; Isoflavone, 4',7-dihydroxy-3'-methoxy-; 7-hydroxy-3-(4-hydroxy-3-methoxy-phenyl)chromen-4-one |
C16H12O5 |
284.26 g/mol |
COC1=C(C=CC(=C1)C2=COC3=C(C2=O)C=CC(=C3)O)O |
TCMBANKIN061600 |
3'-Methoxypuerarin |
7-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]-4-chromenone; 7-hydroxy-3-(4-hydroxy-3-methoxy-phenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-one; 7-hydroxy-3-(4-hydroxy-3-methoxy-phenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one; 7-hydroxy-3-(4-hydroxy-3-methoxy-phenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]chromone; 3'-methoxypuerarin; 7-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one |
C22H22O10 |
446.4 |
COC1=C(C=CC(=C1)C2=COC3=C(C2=O)C=CC(=C3C4C(C(C(C(O4)CO)O)O)O)O)O |
TCMBANKIN061752 |
Syringaldehyde |
BP-12551; W-108274; SYRINGIC ALDEHYDE; TL8000818; F2190-0619; 3,5-Dimethoxy-4-hydroxybenzene carbonal; SBB007558; syringaldehyde; Benzaldehyde,5-dimethoxy-4-hydroxy-; 134S963; Syringaldehyde (3,5-Dimethoxy-4-hydroxybenzaldehyde); MolPort-000-871-246; 4-08-00-02718 (Beilstein Handbook Reference); AC-7993; Syringylaldehyde; RP24321; Benzaldehyde, 4-hydroxy-3,5-dimethoxy-; 3,5-Dimethoxy-4-Hydroxy-Benzaldehyde; M-5269; BBL023037; CJ-01202; BB_NC-1418; 3,5-Dimethoxy-4-hydroxybenzaldehyde; 134-96-3; DTXSID2059643; AK-58336; Gallaldehyde 3,5-dimethyl ethel; Syringaldehyde, 98%; EINECS 205-167-5; NSC 41153; AIDS-340410; MCULE-3798898100; CD0099; AB1002509; 86220_FLUKA; FT-0618631; AI3-28796; D0635; Syringealdehyde; S7602_ALDRICH; Syringaldehyde, analytical standard; 4-Hydroxy-3,5-dimethoxybenzaldehydl; AN-8414; CHEBI:67380; AJ-12845; InChI=1/C9H10O4/c1-12-7-3-6(5-10)4-8(13-2)9(7)11/h3-5,11H,1-2H; Syringaldehyde, Vetec(TM) reagent grade, 98%; KCDXJAYRVLXPFO-UHFFFAOYSA-N; BG00602125; 3,5-DIMETHOXY-4-HYDROXYBENZALDEHYDE, PURE; STR09162; UNII-2ZR01KTT21; Syringaldehyde, >=98%, FG; 3,5-Dimethoxy-4-hydroxybenzaldehyde; 4-Hydroxy-3,5-dimethoxybenzaldehyde; TR-004732; ST093694; NSC-41153; RTR-004732; AT-3143; Syringe aldehyde; 4CN-0961; 4-hydroxy-3,5-dimethoxy-benzaldehyde; CTK0H4628; 4-Hydroksy-3,5-dwumetoksybenzaldehyd [Polish]; 3,5-Dimethoxy-4-hydroxy benzaldehyde; ANW-19730; bmse010204; syringaldehye; KSC174M2R; 4-hydroxy-3,5-dimethoxy benzaldehyde; bmse000595; KB-60663; AP-065/41884112; Cedar aldehyde; MFCD00006943; Springaldehyde; ACMC-209bxg; ZINC152926; BRN 0784514; AIDS340410; SC-50428; AKOS000119539; CHEMBL225303; 4-Hydroxy-3,5-dimethoxybenzaldehyde; SYRINGALDEHYDE; NSC41153; SCHEMBL150376; 4-Hydroksy-3,5-dwumetoksybenzaldehyd; CS-0016810; I01-1214; Benzaldehyde, 3,5-dimethoxy-4-hydroxy-; Gallaldehyde 3,5-dimethyl ether; AC1Q489M; AC1L1RFP; STK801968; LS-25017; Syringic aldehyde; 2ZR01KTT21; ZINC00152926; J10333; W404926_ALDRICH; ST2411453;syringic aldehyde;3,5-dimethoxy-4-hydroxybenzaldehyde;yringaldehyde |
C9H10O4 |
182.17 g/mol |
COC1=CC(=CC(=C1O)OC)C=O |
TCMBANKIN061771 |
piplartine |
Prestwick_399; 1-[3-(3,4,5-Trimethoxy-phenyl)-acryloyl]-5,6-dihydro-1H-pyridin-2-one; 5,6-Dihydro-1-(3,4,5-trimethoxycinnamoyl)-2(1H)-pyridone; MolPort-001-741-398; CHEMBL465843; HMS2096J10; J-012992; BPBio1_000560; NCGC00096028-01; CHEBI:8241; BRD-K24132293-001-05-3; BRD-K24132293-001-09-5; AM-730/20761034; ZB015157; (E)-1-[3-(3,4,5-Trimethoxyphenyl)acryloyl]-5,6-dihydropyridin-2(1H)-one; AC1LCV4N; 2659AH; (E)-1-(3-(3,4,5-trimethoxyphenyl)acryloyl)-5,6-dihydropyridin-2(1H)-one; PPLGM; SCHEMBL2465593; (2E)-1-(1,2,5,6-Tetrahydro-2-oxopyridine-1-yl)-3-(3,4,5-trimethoxyphenyl)-2-propene-1-one; CCG-214375; Prestwick2_000604; Piperlongumine; BRD2293; 5,6-Dihydro-1-(1-oxo-3-[3,4,5-trimethoxyphenyl]-trans-2-propenyl)-2[1H]-pyridinone; SGD66V4SVJ; ZINC899053; NCGC00096028-03; 5,6-Dihydro-1-(3,4,5-trimethoxycinnamoyl)-2(1H)-pyridinone; MFCD00075706; 20069-09-4; C10166; SCHEMBL173092; BRD-K24132293-001-16-0; (E)-5,6-Dihydro-1-[1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propenyl]-2(1H)-pyridinone; Prop-2-en-1-one, 3-(3,4,5-trimethoxyphenyl)-1-(2,3-dihydropyridin-6(1H)-one-1-yl)-; Piplartin; 2(1H)-Pyridinone,5,6-dihydro-1-[(2E)-1-oxo- 3-(3,4,5-trimethoxyphenyl)-2-propenyl]-; A1-00162; HMS1569J10; VABYUUZNAVQNPG-BQYQJAHWSA-N; 5,6-Dihydro-1-[1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propenyl]-2(1H)-pyridinone, 9CI; 2(1H)-Pyridinone, 5,6-dihydro-1-(1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propenyl)-, (E)-; SR-01000841248; ACon1_001541; UNII-SGD66V4SVJ; Prestwick3_000604; BSPBio_000508; HMS2234K24; 1-[(2E)-3-(3,4,5-Trimethoxyphenyl)-2-propenoyl]-5,6-dihydro-2(1H)-pyridinone #; BRD-2293; 5,6-Dihydro-1-[1-oxo-3-(3,4,5-trimethoxyphenyl)-trans-2-propenyl]-2(1H)-pyridinone; NCGC00096028-04; SMR001233252; MLS002153903; N-(3,4,5-Trimethoxycinnamoyl)-D3-piperidin-2-one; P2361; 1-[(2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-1,5,6-trihydropyridin-2-one; Piperlongumin; ST079382; CHEBI:92424; 1-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one; AKOS024284776; NCGC00096028-02; Piperlongumine, >=97% (HPLC); C-54604; s7551; 1-[(2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-1,2,5,6-tetrahydropyridin-2-one; AK326371; 5,6-Dihydro-1-[(2E)-1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propen-1-yl]-2(1H)-pyridinone; SR-01000841248-2; Piplartine; 4CN-2875; SPECTRUM1505135; piperlongumine |
C17H19NO5 |
317.34 g/mol |
COC1=CC(=CC(=C1OC)OC)C=CC(=O)N2CCC=CC2=O |
TCMBANKIN061840 |
7,4'-dimethoxyisoflavone |
Daidzein dimethyl ether; 4H-1-Benzopyran-4-one, 7-methoxy-3-(4-methoxyphenyl)-; SPBio_000109; ZINC00057588; Spectrum4_001605; 7-Methoxy-3-(4-methoxyphenyl)-4H-1-benzopyran-4-one; KBio2_003745; Spectrum2_000185; 7,4'-Dimethoxyisoflavone; KBio3_001297; 7-methoxy-3-(4-methoxyphenyl)chromone; KBio2_001177; ST5331724; Spectrum5_000329; Spectrum_000697; 7-methoxy-3-(4-methoxyphenyl)chromen-4-one; Spectrum3_000209; DivK1c_006209; Oprea1_523121; 7-Methoxy-3-(4-methoxyphenyl)-4H-chromen-4-one; 4',7-Dimethoxyisoflavone; KBio2_006313; 1157-39-7; KBioSS_001177; KBio1_001153; 7-methoxy-3-(4-methoxyphenyl)-4-chromenone; 38763_FLUKA; KBioGR_001949; 7-Methoxy-3-(p-methoxyphenyl)-4H-chromen-4-one; SpecPlus_000113 |
C17H14O4 |
282.29 g/mol |
COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OC |
TCMBANKIN061841 |
Calycosin-7-0-β-D-glucopyranoside |
4H-1-Benzopyran-4-one, 7-(beta-D-glucopyranosyloxy)-3-(4-methoxyphenyl)-; MEGxp0_000395; 3-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one; LMPK12050014; 486-62-4; 3-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one; 3-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone; Formononetin glucoside; STOCK1N-14986; 75375_FLUKA; 3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside; ACon1_000463; ZINC01081322; 3-(4-methoxyphenyl)-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-chromenone; CHEBI:7775; 3-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one; Ononin; C10509; Formononetin 7-O-glucoside; Formononetin-7-O-beta-D-glucopyranoside; Formononetin-7-glucoside; ononin |
C22H22O9 |
430.4 |
COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OC4C(C(C(C(O4)CO)O)O)O |
TCMBANKIN061845 |
olmelin |
Biochanin-A; NSC123538; Genistein 4-methyl ether; 5,7-dihydroxy-3-(4-methoxyphenyl)chromone; 5,7-dihydroxy-3-(4-methoxyphenyl)-4-chromenone; Genistein 4′-methyl ether; CCRIS 5449; KBioGR_002274; Isoflavone, 5,7-dihydroxy-4'-methoxy- (8CI); Spectrum4_001927; KBio2_005811; BSPBio_002776; Spectrum3_001098; KBio1_001027; NSC 123538; NCGC00017369-01; NINDS_001027; Spectrum2_000047; ST057580; Biochanin A; 5,7-Dihydroxy-4'-methoxyisoflavone; NCGC00022428-03; AIDS012225; C00814; KBioSS_000675; KBio3_001996; SMR000059116; Spectrum5_001624; MLS000069443; AIDS-012225; CHEBI:17574; NCI60_000558; 5,7-Dihydroxy-3-p-methoxyphenyl-4H-chromen-4-one; IDI1_001027; KBio2_003243; 5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one; 4'-Methoxy-5,7-dihydroxy isoflavone; SPECTRUM10100003; 5,7-dihydroxy-3-(4-methoxyphenyl)chromen-4-one; SPBio_000173; Spectrum_000195; EINECS 207-744-7; D2016_SIGMA; Biochanin; 4'-Methylgenistein; SMP1_000045; Isoflavone, 5,7-dihydroxy-4'-methoxy-; KBio2_000675; ZINC00016666; 5,7-Dihydroxy-4′-methoxyisoflavone; NCGC00022428-05; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(4-methoxyphenyl)-; Oprea1_038096; TNP00319; Biochanine A; 491-80-5; DivK1c_001027 |
C16H12O5 |
284.26 |
COC1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)O |
TCMBANKIN061878 |
HMO |
3-(4-hydroxyphenyl)-7-methoxy-chromen-4-one; Isoformononetin; 3-(4-hydroxyphenyl)-7-methoxychromen-4-one; 4H-1-Benzopyran-4-one, 3-(4-hydroxyphenyl)-7-methoxy-; 7-methoxy-4'-hydroxyisoflavone; C12125; 4'-HYDROXY-7-METHOXYISOFLAVONE; 3-(4-hydroxyphenyl)-7-methoxy-4-chromenone; 3-(4-hydroxyphenyl)-7-methoxy-chromone;isoformononetin |
C16H12O4 |
268.26 g/mol |
COC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=C(C=C3)O |
TCMBANKIN061880 |
herniarin |
7-methoxycoumarin; 7- methoxy coumarin; Ayapanin220337_ALDRICH; NSC404559; 7-methoxychromen-2-one; DivK1c_006418; KBioGR_002056; Herniarine; KBio2_006008; KBio3_001206; 2H-1-BENZOPYRAN-2-ON; E, 7-METHOXY-; SDCCGMLS-0066524.P001; Herniarin; 531-59-9; 7-Methoxycoumarin; MEGxp0_000150; ACon1_002037; 64951_FLUKA; 7-Methoxy-2H-1-benzopyran-2-one; 5-18-01-00387 (Beilstein Handbook Reference); C09268; SPBio_000615; NSC 404559; 7-methoxy-2-chromenone; METHOXYCOURMARIN, 7-; BSPBio_001706; Spectrum_000392; KBio2_003440; KBioSS_000872; ST5406549; Spectrum3_000263; EINECS 208-513-3; Methyl umbelliferyl ether; MLS000574914; AIDS026313; SPECTRUM210874; Spectrum4_001558; Spectrum2_000398; Herniarin (6CI); KBio2_000872; SpecPlus_000322; Coumarin, 7-methoxy-; Spectrum5_000156; ZINC00391177; Coumarin, 7-methoxy- (8CI); W515809_ALDRICH; AIDS-026313; Methylumbelliferone; BRN 0141728; KBio1_001362; NCGC00095528-01; SMR000156201 |
C10H8O3 |
176.17 g/mol |
COC1=CC2=C(C=C1)C=CC(=O)O2 |