TCMBANKIN000072 |
proscillaridin a |
|
C30H42O8 |
530.6 g/mol |
CC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3=C2)O)C6=COC(=O)C=C6)C)C)O)O)O |
TCMBANKIN004058 |
4-methyldibenzofuran |
|
C13H10O |
182.22 |
CC1=C2C(=CC=C1)C3=CC=CC=C3O2 |
TCMBANKIN004453 |
3,6,6-trimethylnorpinan-2-one |
|
C10H16O |
152.23 g/mol |
CC1CC2CC(C1=O)C2(C)C |
TCMBANKIN005030 |
1,3,4-trimethyl-3-cyclohexene-1-carboxaldehyde |
|
C10H16O |
152.23 |
CC1=C(CC(CC1)(C)C=O)C |
TCMBANKIN006262 |
12-Oxoarundoin |
(5aR,9S,11aS,13bR)-9-methoxy-3a,5a,8,8,11a,13a-hexamethyl-3-propan-2-yl-2,3,4,5,5b,6,7,7a,9,10,11,13b-dodecahydro-1H-cyclopenta[a]chrysen-13-one; AC1NSZBP; 12-oxoarundoin |
C31H50O2 |
454.73 |
CC(C)C1CCC2C1(CCC3(C2(C(=O)C=C4C3CCC5C4(CCC(C5(C)C)OC)C)C)C)C |
TCMBANKIN007431 |
Linoleyl acetate |
octadeca-9,12-dien-1-yl acetate; acetic acid [(9E,12E)-octadeca-9,12-dienyl] ester; [(9E,12E)-octadeca-9,12-dienyl] ethanoate; 5999-95-1; FT-0635935; linoleyl acetate; [(9E,12E)-octadeca-9,12-dienyl] acetate |
C20H36O2 |
308.5 |
CCCCCC=CCC=CCCCCCCCCOC(=O)C |
TCMBANKIN008481 |
Ruvoside |
3-[(5R,10R,14S)-3-[(2R,3S,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-14-hydroxy-10-(hydroxymethyl)-13-methyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one; ruvoside; AC1O3DXD |
C30H46O9 |
550.68 |
[HH].CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)CO)O)OC)O |
TCMBANKIN008636 |
acetylcholine |
Vagusstoff; AC1NSTAT; Acetylcholine Hydroxide; 2-acetyloxyethyl(trimethyl)azanium hydroxide; SCHEMBL3904052; 56-13-3 |
C7H16NO2+ |
146.21 g/mol |
CC(=O)OCC[N+](C)(C)C |
TCMBANKIN009562 |
dimethyl camphorate |
Camphoric acid, dimethyl ester; methyl 3-(methoxycarbonyl)-2,2,3-trimethylcyclopentanecarboxylate; MolPort-000-474-182; 7282-27-1; AKOS016038829; Dimethyl ester of camphoric acid; dimethyl 1,2,2-trimethylcyclopentane-1,3-dicarboxylate; NSC-408336; SBB038033; CTK6I9813; AK210647; 1,3-dimethyl 1,2,2-trimethylcyclopentane-1,3-dicarboxylate; ST50109313; DTXSID00325043; Dimethyl camphorate; ZX-AL000045; AKOS000267969; 1,2,2-Trimethyl-1,3-cyclopentanedicarboxylic acid dimethyl ester; MCULE-9394158015; Dimethyl camphorate #; 15797-21-4; JTQKJWYDOXYYBH-UHFFFAOYSA-N; NSC408336; AC1L8A9U; 1,3-Cyclopentanedicarboxylic acid, 1,2,2-trimethyl-, dimethyl ester; ZX-AT025278 |
C12H20O4 |
228.28 g/mol |
CC1(C(CCC1(C)C(=O)OC)C(=O)OC)C |
TCMBANKIN010314 |
1,4-dimethyl-cis-cyclohexane |
|
C8H16 |
|
CC1CCC(CC1)C |
TCMBANKIN011081 |
triterpenic acid |
|
C36H52O6 |
0 |
CC(=C)C1CCC2(C1C3CCC4C5(CCC6C(C5CCC4(C3(CC2)C)C)(COC(O6)C7=CC=C(O7)CO)C)C)C(=O)O |
TCMBANKIN011439 |
c. monogyna l. |
|
|
|
|
TCMBANKIN014900 |
c.cunicepala |
|
|
|
|
TCMBANKIN015977 |
Chlorogenin |
(25R)-5alpha-spirostan-3beta,6alpha-diol; chlorogenin; LMST01080086 |
C27H44O4 |
432.64 |
CCC1C(CC2C1(CCC3C2CC(C4C3(CCC(C4)O)C)O)C)OC5(CCC(CO5)C)C |
TCMBANKIN016749 |
2,3-Dimethylheptane |
MFCD00048819; D1203; ANW-26968; 2,3-Dimethylheptane, 98%; WBRFDUJXCLCKPX-UHFFFAOYSA-N; 2,3-Dimethyl heptane; LMFA11000611; ACM3074713; CTK1C4627; 2,3-DIMETHYLHHEPTANE; Heptane, 2,3-dimethyl-; 2,3-dimethylheptane; I14-48028; KB-16994; 3074-71-3; WBRFDUJXCLCKPX-UHFFFAOYSA-; FR-2239; FT-0609714; DB-080949; InChI=1/C9H20/c1-5-6-7-9(4)8(2)3/h8-9H,5-7H2,1-4H3; ACMC-209hii; AKOS015841812; TR-013180; AC1L1B06; C-53677; FCH1115667; J-018096 |
C9H20 |
128.26 |
CCCCC(C)C(C)C |
TCMBANKIN016775 |
eriodictyol-7,3-diglucoside |
2-(3,4-Dihydroxyphenyl)-3-(beta-D-glucopyranosyloxy)-5-hydroxy-7-(beta-D-glucopyranosyloxy)-2,3-dihydro-4H-1-benzopyran-4-one; AC1NSV7H; 2-(3,4-dihydroxyphenyl)-5-hydroxy-3,7-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-2,3-dihydrochromen-4-one |
C27H32O17 |
628.5 g/mol |
C1=CC(=C(C=C1C2C(C(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O)O |
TCMBANKIN017605 |
propylcyclohexane |
|
C9H18 |
126.24 g/mol |
CCCC1CCCCC1 |
TCMBANKIN018110 |
Methyl benzyl ether |
NSC 8058; Benzene, (methoxymethyl)-; .alpha.-Methoxytoluene; ST5410734; Ether, benzyl methyl (8CI); AI3-21993; Benzyl methyl ether; InChI=1/C8H10O/c1-9-7-8-5-3-2-4-6-8/h2-6H,7H2,1H; 476730_ALDRICH; (methoxymethyl)benzene; EINECS 208-705-7; NSC8058; FR-1351; ZINC01586379; alpha-Methoxytoluene; Ether, benzyl methyl; 538-86-3; METHOXYMETHYLBENZENE; methyl benzyl ether |
C8H10O |
122.16 |
COCC1=CC=CC=C1 |
TCMBANKIN019790 |
1,2,3-trimethylbenzene |
|
C9H12 |
120.19 g/mol |
CC1=C(C(=CC=C1)C)C |
TCMBANKIN020317 |
3-Ethyl-2,6-dimethylpyrazine |
13925-07-0; SMR000127410; 2-ethyl-3,5-dimethyl-pyrazine; 2-ETHYL-3,5-DIMETHYLPYRAZINE; Pyrazine, 3,5-dimethyl-2-ethyl-; EINECS 237-694-1; 2,6-Dimethyl-3-ethylpyrazine; MLS000517293; BRN 0636984; FEMA 3150; 2-Ethyl-3,5-dimethyl pyrazine; Pyrazine, 2-ethyl-3,5-dimethyl-; 2-Ethyl-3,5(6)-dimethyl-pyrazine; 5-23-05-00440 (Beilstein Handbook Reference); Pyrazine, 2,6-dimethyl-3-ethyl- |
C8H12N2 |
136.19 |
CCC1=NC=C(N=C1C)C |
TCMBANKIN020550 |
ethyl n-docosanoylanthranilate |
ethyln-docosanoylanthranilate |
C31H53NO3 |
487.8 g/mol |
CCCCCCCCCCCCCCCCCCCCCC(=O)NC1=CC=CC=C1C(=O)OCC |
TCMBANKIN021214 |
suchilactone |
SCHEMBL15624884 |
C21H20O6 |
368.38 |
COC1=C(C=C(C=C1)CC2COC(=O)C2=CC3=CC4=C(C=C3)OCO4)OC |
TCMBANKIN022189 |
caffeic acidc. oxyacantha l. |
|
|
|
|
TCMBANKIN022198 |
6-Methyl-1-thio-2,4-cyciohexadiene |
|
|
112.21 |
|
TCMBANKIN022907 |
1,1,3-trimethylcyclopentane |
Cyclopentane, 1,1,3-trimethyl-; FCH838068; 1,1,3-Trimethyl cyclopentane; AKOS006271783; 1,1,3-TRIMETHYLCYCLOPENTANE; NSC73945; OBKHYUIZSOIEPG-UHFFFAOYSA-N; FT-0690768; Cyclopentane, 1,1,3-trimethyl- (8CI)(9CI); Cyclopentane,1,1,3-trimethyl-; CTK4I8660; AC1L2GMY; C-50116; NSC 73945; Cyclopentane,1,3-trimethyl-; 4516-69-2; 1,3-Trimethylcyclopentane; KB-09799; NSC-73945 |
C8H16 |
112.21 g/mol |
CC1CCC(C1)(C)C |
TCMBANKIN022960 |
2-methylcyclopentanone |
(2S)-2-methylcyclopentan-1-one; AJ-33209; 2-methyl-cyclopentanone; 2beta-Methylcyclopentanone; AC1OE5RY; (s)-2-methylcyclopentanone; ZINC2039888 |
C6H10O |
98.14 g/mol |
CC1CCCC1=O |
TCMBANKIN024125 |
Vitexin-7-glucoside |
vitexin-7-glucoside |
|
594.57 |
C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)OC4C(C(C(C(O4)CO)O)O)O)C5C(C(C(C(O5)CO)O)O)O)O |
TCMBANKIN024323 |
1,3,5-trimethylcyclohexane |
|
C9H18 |
126.24 g/mol |
CC1CC(CC(C1)C)C |
TCMBANKIN024872 |
1-propenyl-cyclohexane |
|
C9H16 |
124.22 g/mol |
CC=CC1CCCCC1 |
TCMBANKIN025043 |
3-methyl-1,2-cyclopentanediol |
ST50409315; 3-Methylcyclopentanediol; I14-100286; 3-Methyl-1,2-cyclopentanediol, mixture of diastereomers; FCH1119393; MFCD00019285; FT-0638714; 1,2-Cyclopentanediol, 3-methyl-; KANFKJUPLALTDB-UHFFFAOYSA-N; 3-methylcyclopentane-1,2-diol; RT-004434; 3-Methyl-1,2-cyclopentanediol, mixture of diastereomers, 95%; NSC-403839; 3-METHYL-1,2-CYCLOPENTANEDIOL; C-58077; AC1L1QLX; MCULE-3292232581; CTK8C5939; DB-047248; SCHEMBL5831651; 3-Methyl-1,2-cyclopentanediol #; KB-32665; NSC403839; 27583-37-5; ACMC-20an1b; AKOS028113768; 3-METHYL-1,2-CYCLOPENTANEDIOL (MIXTURE OF ISOMERS); 3-Methylcyclopentan-1,2-diol |
C6H12O2 |
116.16 g/mol |
CC1CCC(C1O)O |
TCMBANKIN026848 |
Ethylcyclohexane |
QSPL 100; LMFA11000659; TRA0083601; ETHYLCYCLOHEXANE; UNII-567IJI1215; ethyl-cyclohexane; NSC-8880; DSSTox_CID_30334; ST51047216; DSSTox_GSID_51779; AKOS015906531; Cyclohexane, ethyl-; AK114241; CJ-26661; SBB061162; Jsp003393; InChI=1/C8H16/c1-2-8-6-4-3-5-7-8/h8H,2-7H2,1H; NSC 8880; NCGC00357050-01; RL02152; J-010406; WLN: L6TJ A2; NCGC00166032-01; AJ-28747; 567IJI1215; EINECS 216-835-0; Ethylcyclohexane, >=99%; AI3-15348; CAS-1678-91-7; TR-007279; IIEWJVIFRVWJOD-UHFFFAOYSA-N; KB-51542; MFCD00001523; NSC8880; I14-21466; MCULE-9302115958; I14-6754; 8567AA; 1678-91-7; AN-49676; E19154_ALDRICH; Tox21_303745; FCH1116711; ST24030704; ethylcyclohexane; AC1L2616; RTR-007279; cyclohexylethane; A810916; Ethyl cyclohexane; ACMC-1C1QU; LS-56823; J-521341; ZINC1648302; FT-0626176; E0073; CHEMBL1882821; TRA0085673; DTXSID1051779; MolPort-003-933-653 |
C8H16 |
112.21 |
CCC1CCCCC1 |
TCMBANKIN027653 |
5-ethyl cyclohexen-1-Methyl ketone |
|
|
|
|
TCMBANKIN028521 |
3,5-Dimethylcyclopentene |
|
C7H12 |
96.17 |
CC1CC(C=C1)C |
TCMBANKIN030414 |
2-Heptanol,3-methyl |
|
C8H18O |
130.23 g/mol |
CCCCC(C)C(C)O |
TCMBANKIN032721 |
c. pentagyna |
|
|
|
|
TCMBANKIN033702 |
citric acid |
InChI=1/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12; NCGC00090954-02; NCGC00090954-01; HSDB 911; CIT; Citric acid (8CI); BRN 0782061; NCIStruc2_000099; 27109_RIEDEL; AIDS-017733; 1,2,3-PROPANETRICARBOXYLIC ACID,2-HYDROXY (CITRIC ACID); citr; 27488_FLUKA; FEMA No. 2306; E 330; 27485_FLUKA; 27487_FLUKA; 77-92-9; C2404_SIGMA; 2-Hydroxytricarballylic acid; NCIOpen2_004502; F 0001 (polycarboxylic acid); EPA Pesticide Chemical Code 021801; AI3-06286; 245654-34-6; 1,2,3-Propanetricarboxylic acid, 2-hydroxy-; Citretten; Kyselina citronova; 2-hydroxypropane-1,2,3-tricarboxylic acid; Anhydrous citric acid; Citrate standard for IC; C83155_SIAL; LS-2418; WLN: QV1XQVQ1VQ; 1,2,3-Propanetricarboxylic acid, 2-hydroxy- (9CI); NSC30279; .beta.-Hydroxytricarballylic acid; NSC 626579; FLC; NCI60_022579; LS-3185; 2-hydroxy-1,2,3-propanetricarboxylic acid; Caswell No. 221C; EINECS 201-069-1; 43136-35-2; 251275_SIAL; 38730_FLUKA; C4540_SIGMA; FEMA Number 2306; 4-03-00-01272 (Beilstein Handbook Reference); 3-Carboxy-3-hydroxypentane-1,5-dioic acid; Citric acid anhydrous (JAN); C00158; 12262-73-6; 240621_ALDRICH; AIDS017733; MLS001066346; Kyselina 2-hydroxy-1,2,3-propantrikarbonova [Czech]; 2-Hydroxypropanetricarboxylic acid; CCRIS 3292; KBio3_002740; NSC626579; D00037; SBB008922; Kyselina citronova [Czech]; Aciletten; NSC 30279; Anhydrous citric acid (JP15); 46933_SUPELCO; NCIOpen2_004062; Citric acid solution; CHEBI:30769; Citro; BSPBio_003240; NCIStruc1_000057; Uro-trainer; Citric acid, anhydrous (USP); W230618_ALDRICH; Citric acid [USAN:JAN]; H3cit; Chemfill; Hydrocerol A; Suby G; Oprea1_502996; Citric acid, anhydrous; SMR000471840; Citric acid anhydrous; Spectrum3_001850 |
C6H8O7 |
192.12 |
C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
TCMBANKIN034241 |
1-ethyl-2-methylbenzene |
|
C9H12 |
120.19 g/mol |
CCC1=CC=CC=C1C |
TCMBANKIN034593 |
2,4-dione-tridecane |
|
|
|
|
TCMBANKIN034958 |
3,7,11-Trimethyl-dodeca-2,4,6,10-tetraenal |
(2E,4E,6E)-3,7,11-Trimethyl-2,4,6,10-dodecatetraenal; (2E,4E,6E)-3,7,11-trimethyldodeca-2,4,6,10-tetraenal |
C15H22O |
218.33 g/mol |
CC(=CCCC(=CC=CC(=CC=O)C)C)C |
TCMBANKIN035132 |
ethylnotopterol |
AC1NSVBI; 4-[(2E)-5-ethoxy-3,7-dimethylocta-2,6-dienoxy]furo[3,2-g]chromen-7-one |
C23H26O5 |
|
CCOC(CC(=CCOC1=C2C=CC(=O)OC2=CC3=C1C=CO3)C)C=C(C)C |
TCMBANKIN035272 |
1,2-dimethylbenzene |
27621-EP2272832A1; DTXSID10178042; 22771-EP2305682A1; 27621-EP2275411A2; 22771-EP2287147A2; 30823-EP2308858A1; 22771-EP2274983A1; 27621-EP2298769A1; 30823-EP2311816A1; 22771-EP2308879A1; 27621-EP2292592A1; 22771-EP2295429A1; 27621-EP2295434A2; 2-methylbenzyl; 22771-EP2315502A1; 30823-EP2311817A1; 1,2-dimethyl-benzene; 25974-EP2378585A1; 22771-EP2275412A1; 2348-48-3; o-methylbenzyl; methylbenzyl; 2-Methylbenzyl radical; 25974-EP2314558A1; 27621-EP2298767A1; AC1L3AU6; 25974-EP2372804A1; 27621-EP2298743A1; 27621-EP2311830A1; 22771-EP2292606A1; 22771-EP2287164A1; 25974-EP2371810A1; 27621-EP2314587A1 |
C8H9 |
105.16 g/mol |
CC1=CC=CC=C1[CH2] |
TCMBANKIN035628 |
propenyl propyl disulfide |
|
C6H12S2 |
148.3 g/mol |
CCCSSC=CC |
TCMBANKIN036312 |
20-Hexadecanoylingenol |
20-hexadecanoylingenol |
C36H58O6 |
586.94 |
CCCCCCCCCCCCCCCC(=O)OCC1=CC2C3C(C3(C)C)CC(C4(C2=O)C=C(C(C4(C1O)O)O)C)C |
TCMBANKIN036544 |
1,2,3-trimethylcyclohexane |
1,2,3-trimethyl-cyclohexane |
C9H18 |
126.24 g/mol |
CC1CCCC(C1C)C |
TCMBANKIN036829 |
ursolic acid |
ursolicacid; U6753_SIGMA; AIDS-039057; AKOS022168209; Urs-12-en-28-oic acid, 3beta-hydroxy- (8CI); 77-52-1; s2370; 3beta-Hydroxyurs-12-en-28-oic acid; SMR000445681; NSC4060; MLS000728569; Ursolic acid; TOS-BB-0966; 3beta-Hydroxy-12-ursen-28-ic acid; (1S,2R,4R,6aS,6bR,8aR,10S,12aR,12bR,14bR)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,4a,5,6,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-1H-picene-4-carboxylic acid; ursolic acid ; BSPBio_000018; NSC 167406; H719; 89797_FLUKA; EINECS 201-034-0; Prunol; BPBio1_000020; (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid; AI3-03109; CHEBI:9908; ST056289; Ursolicacid; AC-8029; Urs-12-en-28-oic acid, 3-hydroxy-, (3beta)-; Ursolic acid (Malol); CCRIS 7123; BC216337; Urson; (3beta)-3-Hydroxyurs-12-en-28-oic acid; Prestwick3_000089; Malol; C08988; AKOS015965499; SCHEMBL1699371; MolPort-016-633-342; 209545-05-1; AS-13246; AIDS039057; NSC 4060 |
C30H48O3 |
456.7 |
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)[O-] |
TCMBANKIN036837 |
vitexin |
49513_FLUKA; vitexin ; vitexin-7-olate anion; Flavone, 8-D-glucosyl-4',5,7-trihydroxy-; 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]chromone; vitexin-7-olate; vitex-in; 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-one; 8-beta-D-Glucopyranosyl-apigenin; 521-33-5; CHEBI:16954; 8-beta-D-Glucopyranosyl-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; Vitexin; vitexin-7-olate(1-); 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]-4-chromenone; Apigenin 8-C-glucoside; 8C-hexosyl apigenin; (1S)-1,5-anhydro-1-[5-hydroxy-2-(4-hydroxyphenyl)-7-oxido-4-oxo-4H-chromen-8-yl]-D-glucitol; CHEBI:57963; (1S)-1,5-anhydro-1-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]-D-glucitol; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-8-beta-D-glucopyranosyl-2-(4-hydroxyphenyl)-; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-8-.beta.-D- glucopyranosyl-2-(4-hydroxyphenyl)-; 8-C-beta-glucopyranosylapigenin; 4H-1-Benzopyran-4-one, 8-beta-D-glucopyranosyl-5,7-dihydroxy-2-(4-hydroxyphenyl)-; NCGC00163642-01; C01460; EINECS 222-963-8; 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one; vitexin anion; 3681-93-4; AIDS026705; AIDS-026705 |
C21H20O10 |
432.378 |
c1([H])c(C2=C([H])C(c3c(c([C@]4([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]4([H])O[H])c(O[H])c([H])c3O[H])O2)=O)c([H])c([H])c(O[H])c1[H] |
TCMBANKIN038600 |
4,11,11-trimethyl-methylene bicyclo[7.2.0] undec-4-ene |
|
C15H24 |
204.351 |
CC1CCCC12CC(CCC2=C)C(=C)C |
TCMBANKIN040889 |
3(s)-3-butyl-3,5-dihydrophthalide |
|
C12H18O2 |
194.27 |
|
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 |
TCMBANKIN041402 |
chlorogenic acid |
3-methyl-1,4,5-tris(oxidanyl)cyclohexane-1-carboxylic acid; 4-prop-1-enylbenzene-1,2-diol; A821421; 4-prop-1-enylbenzene-1,2-diol; 1,3,4-trihydroxy-5-methyl-1-cyclohexanecarboxylic acid; chlorogenic acid ; Chlorogenic acid; chlorogenicacid |
C16H18O9 |
354.309 |
C1([H])([H])[C@](C(O[H])=O)(O[H])C([H])([H])[C@@]([H])(OC(=O)\C([H])=C([H])/c2c([H])c([H])c(O[H])c(O[H])c2[H])[C@]([H])(O[H])[C@@]1([H])O[H] |
TCMBANKIN042231 |
amygdalin |
(2R)-2-phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyacetonitrile; (2R)-2-phenyl-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxymethyl]-2-tetrahydropyranyl]oxy]acetonitrile; (2R)-2-phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-acetonitrile; ethane; 2-(hydroxymethyl)-6-[[6-(methoxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]methoxymethyl]oxane-3,4,5-triol; methanenitrile; methylbenzene; molecular hydrogen; (2R)-2-phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-ethanenitrile; C08325; CHEBI:17019; (2R)-2-phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-acetonitrile; 29883-15-6; STOCK1N-52529; (-)-D-mandelonitrile beta-D-gentiobioside; (2R)-[(6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy](phenyl)acetonitrile; A820093; SMP1_000103; Amygdalin; ethane; formonitrile; 2-(hydroxymethyl)-6-[[3,4,5-trihydroxy-6-(methoxymethyl)-2-oxanyl]methoxymethyl]oxane-3,4,5-triol; molecular hydrogen; toluene |
C20H27NO11 |
457.43 |
C1=CC=C(C=C1)C(C#N)OC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)O)O)O)O)O)O |
TCMBANKIN045324 |
3,4,4-trimethyl-2-hexene |
|
C9H18 |
126.24 g/mol |
CCC(C)(C)C(=CC)C |
TCMBANKIN045696 |
crataequinone a |
|
C14H10O5 |
|
COC1=C(OC2=C1C(=O)C(=O)C3=CC=CC=C32)OC |
TCMBANKIN048449 |
Crataequinone B |
|
|
|
|
TCMBANKIN048926 |
3,6-Di-O-caffeoyl-(α/β)-glucose |
|
|
|
|
TCMBANKIN050304 |
1-Ethyl-4,8-dimethoxy-beta-carboline |
1-ethyl-4,8-dimethoxy-β-carboline |
C15H16N2O2 |
256.3 |
c1([H])c([H])c(c2c(n3[H])c(C([H])([H])C([H])([H])[H])nc([H])c2OC([H])([H])[H])c3c(OC([H])([H])[H])c1[H] |
TCMBANKIN057917 |
OXL |
ethane-1,2-dioic acid; CHEBI:16995; CCRIS 1454; EPA Pesticide Chemical Code 009601; Oxaalzuur; Caswell No. 625; Oxalic acid standard solution; NSC115893 (DILITHIUM); 35295_RIEDEL; AI3-26463; 68487_FLUKA; Oxalic acid (8CI); LMFA01170031; Ethanedioic acid (9CI); 553-91-3 (DILITHIUM); Ethandisaeure; 2847-15-6; Acide oxalique; 38250_RIEDEL; C00209; Ultraplast Activate S 52; ethanedioic acid; NSC 62774; Acide oxalique [French]; NCIOpen2_001042; InChI=1/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6; Oxalsaeure [German]; OXD; NCI-C55209; BRN 0385686; Oxalate standard for IC; 04621_FLUKA; Oxalsaeure; HSDB 1100; Acidum oxalicum; NCIOpen2_008831; 34287_RIEDEL; Kyselina stavelova; Acido ossalico; Aktisal; NCIOpen2_001202; AIDS-071020; Acido ossalico [Italian]; WLN: QVVQ; oxalic acid; 319201_ALDRICH; 216451-38-6; 658537_ALDRICH; 4-02-00-01819 (Beilstein Handbook Reference); 38255_RIEDEL; NCIOpen2_001022; EINECS 205-634-3; Kyselina stavelova [Czech]; Oxagel; AIDS071020; NSC62774; NCIOpen2_000770; 194131_ALDRICH; Aquisal; 241172_ALDRICH; 34285_RIEDEL; 35294_RIEDEL; Oxiric acid; 63504-28-9; 144-62-7; 75688_FLUKA; Oxalic acid solution; 97993-78-7; HOOCCOOH; Oxaalzuur [Dutch]; Ethanedionic acid; H2ox;oxalic acid;oxalicacid |
C2H2O4 |
90.03 g/mol |
C(=O)(C(=O)O)O |
TCMBANKIN057941 |
l-ascorbic acid;ascorbicacid |
l-ascorbic acid;ascorbic acid ; LS-187838 |
C6H8O6 |
176.12 g/mol |
C(C(C1C(=C(C(=O)O1)O)O)O)O |
TCMBANKIN057963 |
succinic acid |
NCGC00159372-02; AIDS017693; Bernsteinsaure; succ; nchembio856-comp9; SIN; Butanedioic acid diammonium salt; InChI=1/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8; Bernsteinsaeure; ST5213944; nchembio.2007.47-comp2; 4-02-00-01908 (Beilstein Handbook Reference); 623158-99-6; LMFA01170043; BRN 1754069; butanedioic acid; Succinic acid (8CI); acide butanedioique; Dihydrofumaric acid; Katasuccin; 110-15-6; WLN: QV2VQ; FMR; AI3-06297; EINECS 203-740-4; Kyselina jantarova [Czech]; Amber acid; 398055_SIAL; 1,4-Butanedioic acid; S3674_SIAL; succinicacid; Ethylene dicarboxylic acid; 1,4-BUTANEDIOIC ACID (SUCCINIC ACID); S7501_SIAL; NSC25949; Bernsteinsaure [German]; acide succinique; NSC 106449; HOOC-CH2-CH2-COOH; Butandisaeure; 1,2-Ethanedicarboxylic acid; Acidum succinicum; Asuccin; C00042; Wormwood acid; ethylenesuccinic acid; Wormwood; 14078_FLUKA; Butanedionic acid; NSC106449; W502707_ALDRICH; W502715_ALDRICH; NCGC00159372-03; AIDS-017693; spirit of amber; A 12084; CHEBI:15741; Butanedioic acid (9CI); S9512_SIGMA; 14079_FLUKA; HSDB 791; Amber acid; amber acid |
C4H6O4 |
118.09 g/mol |
C(CC(=O)O)C(=O)O |
TCMBANKIN058114 |
trans-caffeic acid |
3-(3,4-dihydroxy-phenyl)-acrylic acid; caffeic acid; Caffeate; Lopac-C-0625; 71693-97-5; DivK1c_006624; KBio2_007302; (Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; NCGC00015206-02; CAS-3331-39-5; 60020_FLUKA; AI3-63211; 3-(3,4-Dihydroxyphenyl)-2-propenoic acid polymer; (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; NSC623438; 4-(2'-Carboxyvinyl)-1,2-dihydroxybenzene; KBio2_004734; (2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; CHEMBL1320034; AIDS-002287; AIDS002287; 501-16-6; CHEBI:36281; Prestwick1_000902; KBio1_001568; 3-(3,4-Dihydroxyphenyl)-2-propenoic acid; AKOS000273846; OR1165; SMR000058214; Spectrum2_001612; 3,4-dihydroxycinnamate; (Z)-3-(3,4-dihydroxyphenyl)acrylic acid; Caffeicacid; KOP; AC1NO658; CCRIS 847; Caffeic acid dehydrogenation homopolymer; SPECTRUM1503987; Spectrum4_001694; SCHEMBL3682144; NCGC00017364-01; NCGC00022654-08; 4-(2-Carboxyethenyl)-1,2-dihydroxybenzene; 78734C5A-1281-44D4-B8A0-A3188AD437E3; cis-Caffeic acid; 3-(3,4-dihydroxyphenyl)acrylic acid; Cinnamic acid, 3,4-dihydroxy-; KBioGR_001988; 3,4-Dihydroxybenzeneacrylic acid; 3,4-dihydroxycinnamic acid; trans-caffeic acid; AIDS-026339; NCGC00015206-01; HSDB 7088; ZINC4482687; (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; 3-(3,4-dihydroxyphenyl)prop-2-enoate; Isocaffeic acid; SBB006475; InChI=1/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2; NCGC00017364-02; EU-0100208; C01197; MolPort-001-759-162; KBioSS_002166; Caffeic acid pure; caffeic acid ; trans-Caffeate; (2E)-3-(3,4-dihydroxyphenyl)acrylic acid; NSC 57197; (2E)-3-(3,4-Dihydroxyphenyl)-2-propenoic acid; Spectrum_001686; 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, (E)-; KBio2_002166; Caffeic acid, cis-; 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-; 3,4-Dihydroxybenzeneacrylate; 3-(3,4-Dihydroxy phenyl)-2-propenoic acid; 4361-87-9; 3,4-Dihydroxy-trans-cinnamate; caffeicacid; AR-360/40806927; EINECS 206-361-2; 60018_FLUKA; Caffeic acid polymer; (E)-3-(3,4-dihydroxyphenyl)acrylic acid; NCGC00022654-04; ZX-AL002121; C0625_SIGMA; SDCCGMLS-0002982.P003; 3-(3,4-Dihydroxyphenyl)-2-propenoic acid, homopolymer; SPBio_001643; 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)- (9CI); NCGC00017364-03; 3-(3,4-dihydroxyphenyl)prop-2-enoic acid; AC1LU7RL; SPBio_002943; CHEBI:16433; AIDS026339; 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, homopolymer; CHEBI:17395; TNP00311; SpecPlus_000528; Prestwick0_000902; MLS000069738; 3,4-dihydroxy-cinnamic acid; 3-(3,4-Dihydroxyphenyl)propenoic acid; NCI60_004400; NSC57197; Caffeic; Lopac-C-0625; NCGC00015206-01; Caffeic acid; cis-Caffeic acid; NCGC00017364-01; (Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; C01481; 331-39-5; NCGC00015206-02; CAS-3331-39-5; 3,4-Dihydroxycinnamic acid; CHEBI:17395; (2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; TNP00311; (Z)-3-(3,4-dihydroxyphenyl)acrylic acid; Caffeate; 1- coffee acid |
C9H8O4 |
180.16 g/mol |
C1=CC(=C(C=C1C=CC(=O)O)O)O |
TCMBANKIN058130 |
quercetin-3-O-galactoside |
hyperin; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one; SMR000466394; C10073; ACon1_000623; Quercetin 3-O-beta-D-galactopyranoside; Quercetin-3-O-galactoside;p Hyperin; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-; 482-36-0; Hyperin; Quercetin 3-galactoside; AIDS026341; Hyperasid; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-chromenone; NSC 407304; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone; Quercetin-3-O-galactoside; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one; Hyperozide; AIDS-026341; MLS000759538; Quercetin 3-D-galactoside; EINECS 207-580-6; Quercetin-3-galactoside; Hyperin (8CI); Hyperoside; 2-(3,4-Dihydroxyphenyl)-3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one; 83388_FLUKA; MEGxp0_000392; Hyperosid; Quercetin 3-beta-D-galactopyranoside |
C21H19O12- |
463.4 g/mol |
C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)[O-] |
TCMBANKIN058507 |
cinnamtannin a4 |
[epicatechin-(4β→8)] 5-epicatechin; [Epicatechin-(48)]5-epicatechin; [epicatechin-(48)]5-epicatechin |
C90H74O36 |
1731.53 |
C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=C3C(=CC(=C4C5C(C(OC6=C5C(=CC(=C6C7C(C(OC8=C(C(=CC(=C78)O)O)C9C(C(OC1=C(C(=CC(=C91)O)O)C1C(C(OC2=CC(=CC(=C12)O)O)C1=CC(=C(C=C1)O)O)O)C1=CC(=C(C=C1)O)O)O)C1=CC(=C(C=C1)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O |
TCMBANKIN058520 |
catechin c;epicatechin;alpha-catechin;(-)epicatechin |
epi-Catechol; (3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol; SCHEMBL13350313; Epicatechin; (.+-.)-Epicatechol; (+/-)-Epicatechin; AC1L5SMJ; L-Epicatechin; Epicatechol, (-)-; 17334-50-8; NSC-81162; 2H-1-Benzopyran-3,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2R-cis)-; epicatechin ; NSC81162; (3R)-2-(3,4-DIHYDROXYPHENYL)-3,4-DIHYDRO-2H-1-BENZOPYRAN-3,5,7-TRIOL; 2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3alpha,5,7-triol; NSC-81161; NSC81161;EINECS 207-710-1; KBio2_003207; SpecPlus_000267; (+/-)-Epicatechin; SMP1_000115; AIDS-001347; NSC81161; STOCK1N-16439; (-)-epicatechin; KBioGR_001538; NSC 81161; .alpha. Catechin; BCBcMAP01_000224; KBio1_001307; 2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2R,3R)-; CCRIS 7097; 2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2R-cis)- (9CI); C09727; (- )-epicatechin; KBio2_005775; Spectrum3_000243; KBioSS_000639; NCGC00015215-01; (-)-Epicatechin; 2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3alpha,5,7-triol; 17334-50-8; ZINC00119988; (2R,3R)-2-(3,4-dihydroxyphenyl)chroman-3,5,7-triol; SCHEMBL13350313; (-)- epicatechin; (3R)-2-(3,4-DIHYDROXYPHENYL)-3,4-DIHYDRO-2H-1-BENZOPYRAN-3,5,7-TRIOL; (.+-.)-Epicatechol; E4018_SIGMA; CHEBI:28466; NSC81162; Spectrum4_000949; 525952_ALDRICH; NSC-81162; DivK1c_006363; 2545-08-6; (-)-(2R:3R)-5,7,3',4'-Tetrahydroxyflavan-3-ol; (−)-Epicatechin; AC1L5SMJ; Lopac-C-1251; NCGC00016415-02; (2R,3R)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-1(2H)-benzopyran-3,5,7-triol; (3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol; Spectrum5_000929; l-Acacatechin; AIDS001347; E1753_SIGMA; 39263_FLUKA; (-)epicatechin ; Epicatechin; 2H-1-Benzopyran-3,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2R-cis)-; Spectrum2_000675; 490-46-0; KBio3_001126; KBio2_000639; Prestwick_203; (−)-cis-3,3′,4′,5,7-Pentahydroxyflavane; NCGC00016415-01; (-)-epicatechin ; Epicatechin-(-); SDCCGMLS-0066927.P001; CAS-7295-85-4; (- )- epicatechin; 2-(3,4-Dihydroxyphenyl)-2,3,4-trihydro-3,5,7-trihydroxychromene; SPBio_000769; L-Epicatechin; epi-Catechol; Oprea1_209947; NSC-81161; (-) epicatechin; SPECTRUM210206; BSPBio_001626; (2R,3R)-(-)-Epicatechin; Spectrum_000159; (2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol; epi-Catechin; CAS-154-23-4; ACon1_001106; Epicatechol, (-)- |
C15H14O6 |
290.27 |
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O |
TCMBANKIN058544 |
eriodictyol-7-o-glucoside;miscanthoside;eriodictyol-7-glucoside;(2R)- eriodictyol-7-O-β-D- glucopyranoside |
eriodictyol-7-O-glucoside |
C21H22O11 |
450.39 |
C1C(OC2=CC(=CC(=C2C1=O)O)OC3C(C(C(C(O3)CO)O)O)O)C4=CC(=C(C=C4)O)O |
TCMBANKIN059097 |
1-Hydroxycumene |
alpha,alpha-Dimethylbenzyl alcohol; 2-Phenyl-2-propanol; P30802_ALDRICH; alpha,alpha-Dimethylbenzenemethanol; 617-94-7; .alpha.-Cumyl alcohol; EINECS 210-539-5; alpha,alpha-Dimethylbenzene methanol; 2-Propanol, 2-phenyl-; Phenyldimethylcarbinol; NSC1261; Dimethyl phenyl carbinol; 2-PHENYLISOPROPANOL; Benzyl alcohol, .alpha.,.alpha.-dimethyl-; Dimethylphenylmethanol; BRN 1905012; NSC 1261; NSC212537; Benzenemethanol, .alpha.,.alpha.-dimethyl-; NSC 212537; 4-06-00-03219 (Beilstein Handbook Reference); 2-Phenylpropan-2-ol; HSDB 5718; InChI=1/C9H12O/c1-9(2,10)8-6-4-3-5-7-8/h3-7,10H,1-2H; .alpha.,.alpha.-Dimethylbenzyl alcohol; Benzyl alcohol, alpha,alpha-dimethyl-; Benzenemethanol, alpha,alpha-dimethyl-; alpha-Cumyl alcohol; 78940_FLUKA; Dimethylphenylcarbinol; AI3-05532; ZINC01591819;α,α-dimethylbenzene methanol;2-phenyl-2-propanol;alpha-dimethylbenzene methanol |
C9H12O |
136.19 |
CC(C)(C1=CC=CC=C1)O |
TCMBANKIN059353 |
citronellal |
LMPR0102010007; 6-Octenal,3,7-dimethyl-,(3R)-; NEHNMFOYXAPHSD-SNVBAGLBSA-N; 6-Octenal,3,7-dimethyl-,(3R)-; d-citronellal; (R)-(+)-3,7-Dimethyl-6-octenal; FT-0604386; SCHEMBL457495; 3,7-Dimethyl-(3R)-6-Octenal; 6-octenal,3,7-dimethyl-,(3r)-; (R)-3,7-Dimethyloct-6-enal; 7-dimethyl-(theta)-6-octena; ()-Citronellal; EINECS 219-194-5; (R)-(+)-Citronellal; CHEBI:299; (R)-3,7-dimethyl-6-octenal; C09848; 2385-77-5; (+)-Citronellal; (3R)-3,7-dimethyloct-6-enal; AC1L2OQO; AC1Q6PO2; Citronella Java Oil; (3R)-3,7-Dimethyloct-6-enal (6-Octenal,3,7-dimethyl-,(3R)-); R-3,7-dimethyl-oct-6-enal; (3R)-(+)-citronellal; 6-Octenal,3,7-dimethyl-,(theta)-; EC 219-194-5; CCG-214393; (R)-(+)-Citronellal,technical grade,90%; 951036-03-6; AC1Q29GM; DTXSID6044482; 6-octenal,3,7-dimethyl-,(r)-; 6-Octenal,3,7-dimethyl-,(R)-; (r)-3,7-dimethyl-oct-6-enal; L-(-)-Citronellal; 3,7-Dimethyl-(3S)-6-Octenal; CHEMBL1081721; CTK8F2012; AC1Q29GL; CJ-24100; L-Citronellal; MFCD00067089; AKOS025311453; A801397; FT-0699573; ZINC1531600; (R)-citronellal; (3R)-3,7-Dimethyl-6-octenal; s-(-)-citronellal; UNII-QB99VZZ7GZ component NEHNMFOYXAPHSD-SNVBAGLBSA-N; 3,7-Dimethyl-6-octenal,(3R)-; 3,7-Dimethyl-(S)-6-Octenal; Citronellol 96%; (R)-(+)-Citronellal; CHEBI:299; 106-23-0; (R)-3,7-dimethyl-6-octenal; LMPR01020055; 2385-77-5; C09848; 343641_ALDRICH; 6-Octenal,3,7-dimethyl-,(3R)-; (3R)-3,7-dimethyloct-6-enal; ZINC01531600; (3R)-3,7-dimethyl-6-octenal; (3R)-(+)-citronellal; 6-Octenal,3,7-dimethyl-,(theta)-; (R)-3,7-Dimethyloct-6-enal; EINECS 219-194-5 |
C10H18O |
154.25 |
CC(CCC=C(C)C)CC=O |
TCMBANKIN059605 |
2α-hydroxyoleanolic acid;crategolicacid;2beta-hydroxyoleanolic acid;bredemolic acid;2a- hydroxy oleanolic acid;2α,3α-dihydroxyolean-12-en-28-oic acid;masilinic acid;(2β,3β)-maslinicacid;3-epimaslinic acid ;2α,3β-dihydroxyolean-12-en-28-oicacid;augustic acid ;Maslinic acid |
|
C30H48O4 |
472.7 |
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1)C)C(=O)O)C |
TCMBANKIN059753 |
1,3,4-trimethyl-3-cyclohexene-1-carboxaldehyde |
|
C10H16O |
152.23 |
CC1=C(CC(CC1)(C)C=O)C |
TCMBANKIN059917 |
methylbenzol |
|
C6H5CH3 |
92.14 g/mol |
CC1=CC=CC=C1 |
TCMBANKIN060075 |
17-hydroxycorticosterone |
|
C21H30O5 |
362.5 g/mol |
CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)CO)O)C)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 |
TCMBANKIN060607 |
methylcyclohexane |
|
C7H14 |
98.19 g/mol |
CC1CCCCC1 |
TCMBANKIN060608 |
cis-Hexahydro-o-xylene |
|
C8H16 |
112.21 g/mol |
CC1CCCCC1C |
TCMBANKIN060650 |
2,3,4-TRIMETHYLHEXANE |
|
C9H20 |
128.25 g/mol |
CCC(C)C(C)C(C)C |
TCMBANKIN060773 |
3-methylhexane |
|
C7H16 |
100.2 |
CCCC(C)CC |
TCMBANKIN060836 |
butyl-cyclohexane |
|
C10H20 |
140.27 g/mol |
CCCCC1CCCCC1 |
TCMBANKIN060850 |
2-methyl-Heptane |
|
C8H18 |
114.23 g/mol |
CCCCCC(C)C |
TCMBANKIN060851 |
4-methylnonane |
|
C10H22 |
142.28 g/mol |
CCCCCC(C)CCC |
TCMBANKIN060896 |
Heptan |
|
C7H16 |
100.2 |
CCCCCCC |
TCMBANKIN060899 |
Isononane |
|
C9H20 |
128.25 g/mol |
CCCCCCC(C)C |
TCMBANKIN060905 |
Ricineic acid |
|
C18H32O2 |
280.45 |
CCCCCCC=CC=CCCCCCCCC(=O)O |
TCMBANKIN060921 |
(5S)-5-hexyloxolan-2-one |
|
C10H18O2 |
170.25 |
CCCCCCC1CCC(=O)O1 |
TCMBANKIN060976 |
n-decane |
|
C10H22 |
142.28g/mol |
CCCCCCCCCC |
TCMBANKIN060978 |
Mnk |
|
C11H22O |
170.29 |
CCCCCCCCCC(=O)C |
TCMBANKIN061091 |
stearic acid |
|
CH3(CH2)16COOH |
284.5 g/mol |
CCCCCCCCCCCCCCCCCC(=O)O |
TCMBANKIN061095 |
TGL |
|
C57H110O6 |
891.5 g/mol |
CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC |
TCMBANKIN061247 |
Ethyl tiglate |
|
C7H12O2 |
128.17 g/mol |
CCOC(=O)C(=CC)C |
TCMBANKIN061291 |
creatine |
|
C4H9N3O2 |
131.13 g/mol |
CN(CC(=O)O)C(=N)N |
TCMBANKIN061295 |
3-methylhistidine |
|
C7H11N3O2 |
169.18 g/mol |
CN1C=NC=C1CC(C(=O)O)N |
TCMBANKIN061943 |
dimethyl disulfide |
(T)DIMETHYL DISULFIDE; 3P8D642K5E; Dimethyl disulphide; InChI=1/C2H6S2/c1-3-4-2/h1-2H; 2,3-Dithiabutane; Methyl disulfide (8CI); CCRIS 2939; Dimethyl disulfide, purum, >=98.0% (GC); CHEMBL1347061; WQOXQRCZOLPYPM-UHFFFAOYSA-N; MCULE-7451882535; Dimethyl disulfide, natural, >=98%, FG; F0001-1676; EINECS 272-923-9; methyl disulphide; NCGC00091798-01; NSC 9370; methyldisulfanyl methane; (Methyldisulfanyl)methane; NCGC00259075-01; METHYL DISULFIDE; RP18575; TL8004165; 595560-92-2; dimethydisulfide; dimethyldisulphide; UN 2381; (1/4)x>>u paragraph signthornAoAN; EN300-36043; DSSTox_CID_5117; (METHYLDISULFANYL)METHYL; DSSTox_RID_77673; EC 210-871-0; Dimethyl disulfide, >=99.0%; (Methyldisulfanyl)methane #; ZINC8221057; 624-92-0; CAS-624-92-0; Methyldisulfanylmethane; FT-0625135; (Methyldithio)methane; Dimethyl disulfide, analytical standard; LS-1499; C08371; Disulfide, dimethyl; Dimethyl disulfide, 99%; D0714; RTR-021489; NSC9370; NSC-9370; CTK2F3131; AN-22028; Dimethyl disulfide [UN2381] [Flammable liquid]; KB-76616; DSSTox_GSID_25117; I09-0129; MFCD00008561; AC1Q4HEQ; CHEBI:4608; Dimethyl disulfide, >=99%; AC1L1Z53; DMDS; UN2381; NCGC00091798-02; Dimethyl disulfide, 98%; Dimethyl disulfide [UN2381] [Flammable liquid]; DTXSID4025117; 224638-EP2371831A1; WLN: 1SS1; AI3-25305; A833808; Dimethyl disulfide; Q-100719; Dimethyl disulfide, >=98%, FG; 1,2-Dimethyldisulfane; UNII-3P8D642K5E; FEMA No. 3536; KS-000017OV; Tox21_201525; PubChem9665; BDBM233038; (CH3S)2; HSDB 6400; Methyldithiomethane; AC1Q4HER; AKOS009157459; TR-021489; EINECS 210-871-0; MeS-SMe; Dimethyldisulfide; MolPort-003-929-787; Methyldisulfide |
C2H6S2 |
94.2 g/mol |
CSSC |