|
TCMBANKIN000017 |
anemoside a3 |
(5aR,8R)-9-[(2R,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-8-(hydroxymethyl)-5a,5b,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid; AC1O3DIH; Anemoside A3 |
C41H66O12 |
751 g/mol |
CC1C(C(C(C(O1)OC2C(C(COC2OC3CCC4(C5CCC6C7C(CCC7(CCC6(C5(CCC4C3(C)CO)C)C)C(=O)O)C(=C)C)C)O)O)O)O)O |
|
TCMBANKIN000062 |
Fraxinellone |
28808-62-0; 1(3H)-Isobenzofuranone, 3-(3-furanyl)-3a,4,5,6-tetrahydro-3a,7-dimethyl-, (3R-cis)- (9CI); Phthalide, 3-(3-furyl)-3a,4,5,6-tetrahydro-3a,7-dimethyl-; NCI60_012928; NSC638730; fraxinellone; (3R,3aR)-3-furan-3-yl-3a,7-dimethyl-3,4,5,6-tetrahydro-2-benzofuran-1-one; fraxinellone ; (3R,3aR)-3-(3-furyl)-3a,7-dimethyl-3,4,5,6-tetrahydroisobenzofuran-1-one; ZINC00265490 |
C14H16O3 |
232.27 |
CC1=C2C(=O)OC(C2(CCC1)C)C3=COC=C3 |
|
TCMBANKIN000081 |
dehydrocostus lactone |
dehydrocostuslactone; Azuleno[4,5-b]furan-2(3H)-one,decahydro-3,6,9-tris(methylene)-, (3aS,6aR,9aR,9bS)-; SCHEMBL699070; (3aS,6aR,9aR,9bS)-decahydro-3,6,9-tris(methylene)azuleno[4,5-b]furan-2(3H)-one; (3aR,6aS,9aS,9bR)-3,6,9-tris(methylidene)octahydroazuleno[4,5-b]furan-2,8(3H,4H)-dione; (3aS,6aR,9aR,9bS)-3,6,9-trimethylene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[5,4-d]furan-2-one; Dehydro-costus lactone (6CI,7CI); CHEMBL88985; Dehydrocostus-Lactone; 71TRF5K040; AN-45158; (3aR,6aS,9aS,9bR)-3,6,9-tris(methylene)octahydroazuleno[4,5-b]furan-2,8(3H,4H)-dione; Guaia-4(15),10(14),11(13)-trien-12-oic acid, 6alpha-hydroxy-, gamma-lactone; I07-0243; CTK5D9685; Dehydrocostus lactone; UNII-71TRF5K040; C09387; AKOS015896789; (3aS,6aR,9aR,9bS)-Decahydro-3,6,9-tris(methylene)-azuleno[4,5-b]furan-2(3H)-one; [3aS-(3aalpha,6aalpha,9aalpha,9bbeta)]-Decahydro-3,6,9-tris(methylene)-azuleno[4,5-b]furan-2(3H)-one; (3aS,6aR,9aR,9bS)-3,6,9-trimethylene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one; (3aS,6aR,9aR,9bS)-3,6,9-trimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[5,4-d]furan-2-one; CS-3636; MCULE-3657815830; SC-19761; ZB015154; (-)-Dehydrocostus lactone; Dehydrocostus lactone; Epiligulyl oxide; Dehydrocostus lactone, >=98% (HPLC); 477-43-0; (3as,6ar,9ar,9bs)-3,6,9-trimethylidenedecahydroazuleno[4,5-b]furan-2(3h)-one; ZINC898477; HY-N0591; 299D482; (3aS,6aR,9aR,9bS)-3,6,9-trimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one; CCG-208469; Azuleno(4,5-b)furan-2(3H)-one, decahydro-3,6,9-tris(methylene)-, (3aS-(3aalpha,6aalpha,9aalpha,9bbeta))-; AIDS-070708; AC1L2JE2; Azuleno(4,5-b)furan-2(3H)-one, decahydro-3,6,9-tris(methylene)-, (3aS-(3a.alpha.,6a.alpha.,9a.alpha.,9b.beta.))-; (3aS,6aR,9aR,9bS)-3,6,9-Trimethylenedecahydroazuleno[4,5-b]furan-2(9bH)-one; Dehydrocostus lactone, analytical standard; D5366; AC1Q69K0; (-)-dehydrocostuslactone; (-)-dehydrocostus lactone; FT-0082396; Azuleno[4,5-b]furan-2(3H)-one,decahydro-3,6,9-tris(methylene)-; CHEBI:244418; EBD10311; NP-009694; BDBM50370831; AIDS070708; 74299-48-2; MolPort-006-822-624 |
C15H18O2 |
230.3 |
C=C1CCC2C(C3C1CCC3=C)OC(=O)C2=C |
|
TCMBANKIN000349 |
(E)-2-propenoic acid,3-(3-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl),methyl ester |
|
|
224.33 |
|
|
TCMBANKIN000447 |
Aucubin_qt |
|
C15H22O9 |
346.33 |
|
|
TCMBANKIN000794 |
Senkyunolide G |
SCHEMBL10823272; 94530-85-5; 3-Butyl-3-hydroxy-4,5-dihydro-2-benzofuran-1-one; senkyunolide g; SenkyunolideG; (3S)-3-butyl-3-hydroxy-4,5-dihydroisobenzofuran-1-one; (3S)-3-butyl-3-hydroxy-4,5-dihydro-2-benzofuran-1-one; AKOS032949111 |
C12H16O3 |
208.25 |
CCCCC1(C2=C(C=CCC2)C(=O)O1)O |
|
TCMBANKIN001316 |
Aloesone |
2-acetonyl-7-hydroxy-5-methyl-chromen-4-one; 2-acetonyl-7-hydroxy-5-methyl-chromone; 2-acetonyl-7-hydroxy-5-methyl-4-chromenone; 7-hydroxy-5-methyl-2-(2-oxopropyl)chromen-4-one; aloesone |
C13H12O4 |
232.23 |
CC1=CC(=CC2=C1C(=O)C=C(O2)CC(=O)C)O |
|
TCMBANKIN001325 |
2-[(1R)-4-methyl-1-cyclohex-3-enyl]propan-2-yl acetate |
acetic acid [1-methyl-1-[(1R)-4-methyl-1-cyclohex-3-enyl]ethyl] ester; 2-[(1R)-4-methyl-1-cyclohex-3-enyl]propan-2-yl ethanoate; [1-methyl-1-[(1R)-4-methyl-1-cyclohex-3-enyl]ethyl] acetate |
C12H20O2 |
196.29 |
|
|
TCMBANKIN001911 |
Encecalin |
CHEMBL451983; CHEBI:4789; NSC603929; C09005; 1-(7-Methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)ethanone; Ketone, 7-methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl methyl; 20628-09-5; encecalin; 4CN-1599; SCHEMBL4310132; WXVLCNREBFDEKS-UHFFFAOYSA-N; AKOS032948499; NSC-603929; 1-(7-methoxy-2,2-dimethyl-2h-chromen-6-yl)ethanone; ZINC897924; Isolated from Asteraceae plants; Encecaline; NSC 603929; 1-(7-methoxy-2,2-dimethyl-chromen-6-yl)ethanone; ACon1_002222; 1-(7-methoxy-2,2-dimethylchromen-6-yl)ethanone; Encecalin (methyleupatoriochromene); Ethanone,1-(7-methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-; W1949; AC1Q5GA2; 6-acetyl-7-methoxy-2,2-dimethylchromene; 1-(7-methoxy-2,2-dimethyl-6-chromenyl)ethanone; MolPort-001-742-371; AC1L3FTK; CTK8D7503; MEGxp0_001567; NP-009521; MCULE-1012949526 |
C14H16O3 |
232.27 |
CC(=O)C1=C(C=C2C(=C1)C=CC(O2)(C)C)OC |
|
TCMBANKIN002067 |
methyl 2,4-dimethoxy-6-methylbenzoate |
Benzoic acid, 2,4-dimethoxy-6-methyl-, methyl ester; ST5408056; methyl 2,4-dimethoxy-6-methyl-benzoate; 2,4-dimethoxy-6-methylbenzoic acid methyl ester; o-Toluic acid, 4,6-dimethoxy-, methyl ester; 2,4-dimethoxy-6-methyl-benzoic acid methyl ester; ZINC02149958 |
C11H14O4 |
210.23 |
CC1=CC(=CC(=C1C(=O)OC)OC)OC |
|
TCMBANKIN002274 |
isohumbertiol-3-o-{α-L-rhamnopyranosyl(1→4)-α-L-rhamnopyranosyl(1→2)-[α-L-rhamnopyranosyl(1→6)]}-β-D-glucopyranoside_qt |
|
|
236.39 |
|
|
TCMBANKIN002385 |
3B-hydroxy-4(8)-ene-P-mentllane-3(9)-lactone |
|
|
180.27 |
|
|
TCMBANKIN002503 |
jioglutin D |
jioglutin d |
C11H18O6 |
246.26 g/mol |
COC1CC2C(C(O1)OC)C3(C(C2O)O3)CO |
|
TCMBANKIN002759 |
cis-Verbenyl acetate |
[(1S,2R,5S)-4,7,7-trimethyl-2-bicyclo[3.1.1]hept-3-enyl] acetate; [(1S,2R,5S)-4,7,7-trimethyl-2-bicyclo[3.1.1]hept-3-enyl] ethanoate; acetic acid [(1S,2R,5S)-4,7,7-trimethyl-2-bicyclo[3.1.1]hept-3-enyl] ester |
C12H18O2 |
194.27 |
CC1=CC(C2CC1C2(C)C)OC(=O)C |
|
TCMBANKIN002793 |
8-Epilpganic acid_qt |
8-Epiloganic acid_qt |
C16H24O10 |
376.36 |
|
|
TCMBANKIN002929 |
Eucommiol |
(1R,2R)-2-(2-hydroxyethyl)-3,4-bis(hydroxymethyl)-1-cyclopent-3-enol; AC1L4C59; eucommiol; (1R,2R)-2-(2-hydroxyethyl)-3,4-dimethylol-cyclopent-3-en-1-ol; (1R,2R)-2-(2-hydroxyethyl)-3,4-bis(hydroxymethyl)cyclopent-3-en-1-ol; CHEBI:133889; 55930-44-4; SCHEMBL422795; C17878; DTXSID80204529; 1-Cyclopentene-1,2-dimethanol, 4-hydroxy-3-(2-hydroxyethyl)-, (3R,4R)- |
C9H16O4 |
188.22 |
C1C(C(C(=C1CO)CO)CCO)O |
|
TCMBANKIN003409 |
Proglobeflowery acid |
proglobeflowery acid; 3-Methoxy-4-hydroxy-5-(3'-methyl-2')butylenylbenzoic acid; 146367-85-3; 4-hydroxy-3-methoxy-5-(3-methylbut-2-enyl)benzoic acid; Benzoic acid, 4-hydroxy-3-methoxy-5-(3-methyl-2-butenyl)- |
C13H16O4 |
236.26 |
CC(=CCC1=C(C(=CC(=C1)C(=O)O)OC)O)C |
|
TCMBANKIN003441 |
melittoside_qt |
Danmelittoside_qt |
|
200.21 |
|
|
TCMBANKIN003704 |
10-hydroxy-8,9-dioxyisopropylidene-thymol |
|
|
238.31 |
|
|
TCMBANKIN003871 |
SRT |
Butanedioic acid, 2,3-dihydroxy-, (R*,S*)-; 1,4-BUTANEDIOIC ACID,2,3-DIHYDROXY (TARTARIC ACID); (2R,3S)-2,3-dihydroxysuccinic acid; InChI=1/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10; Mesoweinsaeure; internally compensated tartaric acid; (2R,3S)-tartaric acid; (2R,3S)-2,3-dihydroxybutanedioic acid; (R*,S*)-2,3-dihydroxybutanedioic acid; Internally compensate tartaric acid; S,R MESO-TARTARIC ACID; (2R,3S)-rel-2,3-dihydroxybutanedioic acid; erythraric acid; CHEBI:15673; unresolvable tartaric acid |
C4H6O6 |
150.09 |
C(C(C(=O)O)O)(C(=O)O)O |
|
TCMBANKIN004570 |
n-butyl-O-β-D-fruct opyranoside |
n-butyl-O-β-D-fructopyranoside |
|
222.27 |
|
|
TCMBANKIN004704 |
1-alpha-Terpinyl acetate |
(R)-alpha,alpha,4-Trimethylcyclohex-3-ene-1-methyl acetate; 2-[(1S)-4-methyl-1-cyclohex-3-enyl]propan-2-yl acetate; 3-Cyclohexene-1-methanol, alpha,alpha,4-trimethyl-, acetate, (theta)-; [1-methyl-1-[(1S)-4-methyl-1-cyclohex-3-enyl]ethyl] acetate; (S)-alpha,alpha,4-Trimethylcyclohex-3-ene-1-methyl acetate; acetic acid [1-methyl-1-[(1S)-4-methyl-1-cyclohex-3-enyl]ethyl] ester; 3-Cyclohexene-1-methanol, alpha,alpha,4-trimethyl-, acetate, (1R)-; EINECS 232-082-0; 2-[(1S)-4-methyl-1-cyclohex-3-enyl]propan-2-yl ethanoate; EINECS 261-165-4; 58206-95-4; 3-Cyclohexene-1-methanol, alpha,alpha,4-trimethyl-, acetate, (S)-; 3-Cyclohexene-1-methanol, alpha,alpha,4-trimethyl-, acetate, (1S)-; 7785-54-8 |
C12H20O2 |
196.29 |
CC1=CCC(CC1)C(C)(C)OC(=O)C |
|
TCMBANKIN004830 |
2-O-beta-D-glucopyranosyl-4-hydroxy-2H-1,4-benzoxazin-3(4H)-one_qt |
|
|
180.15 |
|
|
TCMBANKIN004875 |
(2R,3S,4S,5R)-2-ethoxy-2,5-bis(hydroxymethyl)oxolane-3,4-diol |
(2R,3S,4S,5R)-2-ethoxy-2,5-dimethylol-tetrahydrofuran-3,4-diol; (2R,3S,4S,5R)-2-ethoxy-2,5-bis(hydroxymethyl)tetrahydrofuran-3,4-diol |
C8H16O6 |
208.21 |
CCOC1(C(C(C(O1)CO)O)O)CO |
|
TCMBANKIN004909 |
2-[(2R,5S,6S)-6,10-dimethylspiro[4.5]dec-9-en-2-yl]propan-2-ol |
2-[(2R,5S,6S)-6,10-dimethyl-2-spiro[4.5]dec-9-enyl]propan-2-ol |
C15H26O |
222.37 |
|
|
TCMBANKIN004963 |
(4aR,7aS)-7-methylol-4,4a,5,7a-tetrahydro-3H-cyclopenta[c]pyran-1-one |
(4aR,7aS)-7-(hydroxymethyl)-4,4a,5,7a-tetrahydro-3H-cyclopenta[c]pyran-1-one |
C9H12O3 |
168.19 |
|
|
TCMBANKIN005010 |
qinghaosu i |
|
C13H18O2 |
206.28 |
|
|
TCMBANKIN005072 |
Secobarbital |
|
C12H18N2O3 |
238.28 g/mol |
CCCC(C)C1(C(=O)NC(=O)NC1=O)CC=C |
|
TCMBANKIN005164 |
(2S,3R,4S,5S,6R)-2-ethoxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol |
(2S,3R,4S,5S,6R)-2-ethoxy-6-methylol-tetrahydropyran-3,4,5-triol; (2S,3R,4S,5S,6R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol |
|
208.24 |
|
|
TCMBANKIN005351 |
(Z,E)-2-(2-Butenylidene)-1,3,3-trimethyl-7-Oxabicyclo[2,2,1]heptane |
|
|
192.33 |
|
|
TCMBANKIN005707 |
Calamendiol |
calamendiol |
C15H26O2 |
238.37 g/mol |
CC(C)C1CCC(C2C1(CC(=C)CC2)O)(C)O |
|
TCMBANKIN005796 |
secologanic acid_qt |
|
|
212.22 |
|
|
TCMBANKIN005952 |
geniposidie acid_qt |
Genioisidic acid_qt; geniposidic acid_qt; geniposidic,acid_qt |
C16H22O10 |
374.34 |
|
|
TCMBANKIN005986 |
2-Methyl-N-phenylmaleimide |
337765_ALDRICH; 3-methyl-1-phenylpyrrole-2,5-dione; 3-methyl-1-phenyl-3-pyrroline-2,5-quinone; A0177/0007996; EU-0050672; 3-methyl-1-phenyl-pyrrole-2,5-dione; ZINC00058465 |
C10H10O2 |
162.19 |
CC1=CC(=O)N(C1=O)C2=CC=CC=C2 |
|
TCMBANKIN006143 |
reptoside_qt |
|
C17H26O10 |
390.38 |
|
|
TCMBANKIN006682 |
Tangshenoside II_qt |
|
|
210.25 |
|
|
TCMBANKIN006711 |
sinapic acid |
A829376; (E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)prop-2-enoic acid; 3-(3,5-Dimethoxy-4-hydroxyphenyl)acrylate; ST5308240; (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenoic acid; InChI=1/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13; 85429_FLUKA; 2-propenoic acid, 3-(4-hydroxy-3,5-dimethoxyphenyl)-, (2E)-; 3,5-Dimethoxy-4-hydroxycinnamic acid; (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate; (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acid; ZB005508; 2-propenoic acid, 3-(4-hydroxy-3,5-dimethoxyphenyl)-; C00482; sinapicacid; 49508_FLUKA; MLS001066354; Sinapic acid; SXX; 3-(4-hydroxy-3,5-dimethoxyphenyl)acrylic acid; 3,5-dimethoxy-4-hydroxycinnamic acid; 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acid; trans-sinapate; AIDS024970; (E)-3-(3,5-dimethoxy-4-oxidanyl-phenyl)prop-2-enoate; AC1NUT1R; NSC59261; (E)-3-(4-Hydroxy-3,5-dimethoxyphenyl)-2-propenoic acid; CHEBI:30023; 4-Hydroxy-3,5-dimethoxy-cinnamic acid; 2-Propenoic acid, 3-(4-hydroxy-3,5-dimethoxyphenyl)-, (E)-; Synapoic acid; SINAPINATE; (E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)acrylic acid; 530-59-6; AIDS-024970; D7927_SIGMA; SMR000471879; (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenoate; (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)acrylic acid; CHEBI:15714; CINNAMIC ACID,3,5-DIMETHOXY,4-HYDROXY; (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate; Cinnamic acid, 4-hydroxy-3,5-dimethoxy-, (E)-; (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acid; InChI=1/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13)/b4-3; 7362-37-0; 3-(4-hydroxy-3,5-dimethoxy-phenyl)acrylic acid; 3-(4-hydroxy-3,5-dimethoxy-phenyl)prop-2-enoic acid; 3,5-dimethoxy-4-hydroxycinnamate; 4-hydroxy-3,5-dimethoxycinnamate |
C11H12O5 |
224.21 |
COC1=CC(=CC(=C1O)OC)C=CC(=O)O |
|
TCMBANKIN006735 |
Oleoside dimethyl ester_qt |
|
C18H26O11 |
418.39 |
|
|
TCMBANKIN006900 |
methyl (1R,4aS,6S,7R,7aS)-1,6-dihydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[d]pyran-4-carboxylate |
(1R,4aS,6S,7R,7aS)-1,6-dihydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[d]pyran-4-carboxylic acid methyl ester |
C17H26O10 |
390.38 |
|
|
TCMBANKIN006987 |
Gulutamine |
25513-46-6; G1251_SIGMA; Glutamic acid, L-, peptides; Acidum glutamicum; BPBio1_001132; L-Glutamic acid (9CI); AIDS071819; nchembio.2007.55-comp22; (S)-2-aminopentanedioic acid; L-Glutaminic acid; 26717-13-5; E 620; Biomol-NT_000170; Lopac0_000529; D00007; L-Glutamic acid, homopolymer (9CI); Poly(alpha-L-glutamic acid); NCGC00024502-01; (2S)-2-aminoglutaric acid; NCGC00024502-03; 24938-00-9; PDSP1_001539; L-Glutamic acid (JAN); W328502_ALDRICH; alpha-L-Glutamic acid polymer; HSCI1_000269; 09581_FLUKA; AIDS-071819; G5667_SIGMA; L-Glutaminsaeure; 49449_FLUKA; nchembio816-comp2; PDSP2_000127; Glutamic acid polymer; PDSP2_001523; alpha-Glutamic acid; G8415_SIGMA; C00025; 84960-48-5; Tocris-0218; CHEBI:16015; L-alpha-Aminoglutaric acid; PDSP1_000128; Glutamic acid, L- (7CI,8CI); (2S)-2-aminopentanedioic acid; POLYGLUTAMIC ACID; LS-2330; Gulutamine (USP) |
C5H9NO4 |
147.13 g/mol |
C(CC(=O)O)C(C(=O)O)N |
|
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 |
|
TCMBANKIN007205 |
Ambrosin |
ambrosin |
C15H18O3 |
246.3 |
CC1CCC2C(C3(C1C=CC3=O)C)OC(=O)C2=C |
|
TCMBANKIN007868 |
asperulosidic acid_qt |
|
C32H39NO7 |
549.65 |
|
|
TCMBANKIN008068 |
Leptodactylone |
C09271; 8-hydroxy-5,7-dimethoxy-coumarin; 61899-44-3; 8-hydroxy-5,7-dimethoxychromen-2-one; 8-hydroxy-5,7-dimethoxy-2-chromenone; 8-hydroxy-5,7-dimethoxy-chromen-2-one |
C11H10O5 |
222.19 |
COC1=CC(=C(C2=C1C=CC(=O)O2)O)OC |
|
TCMBANKIN008386 |
Methyl atratate |
Benzoic acid, 2,4-dihydroxy-3,6-dimethyl-, methyl ester; CBDivE_016254; 2,4-dihydroxy-3,6-dimethyl-benzoic acid methyl ester; beta-Resorcyclic acid, 3,6-dimethyl-, methyl ester; beta-Resorcylic acid, 3,6-dimethyl-, methyl ester; MLS000517295; SMR000127412; 136218-95-6; EINECS 225-193-0; 4707-47-5; Methyl-3-methylorsellinate; Methyl beta-orcinolcarboxylate; Evernyl; Atraric acid;; Methyl beta-orcinolcarboxylate; Methyl 3,6-dimethylresorcylate; ZINC00239015; Methyl 2,4-dihydroxy-3,6-dimethylbenzoate; 2,4-dihydroxy-3,6-dimethylbenzoic acid methyl ester; methyl 2,4-dihydroxy-3,6-dimethyl-benzoate; .beta.-Resorcylic acid, 3,6-dimethyl-, methyl ester; ST5408246; AIDS097062; AIDS-097062; W523305_ALDRICH |
C10H12O4 |
196.2 |
CC1=CC(=C(C(=C1C(=O)OC)O)C)O |
|
TCMBANKIN008585 |
(E)-3-(3-hydroxy-4,5-dimethoxy-phenyl)acrylic acid |
(E)-3-(3-hydroxy-4,5-dimethoxyphenyl)prop-2-enoic acid; (E)-3-(3-hydroxy-4,5-dimethoxy-phenyl)prop-2-enoic acid |
|
224.23 |
|
|
TCMBANKIN008751 |
Cherianoine |
7-hydroxy-6,8-dimethoxy-2-methyl-isoquinolin-1-one; 7-hydroxy-6,8-dimethoxy-2-methyl-isocarbostyril; 7-hydroxy-6,8-dimethoxy-2-methylisoquinolin-1-one; cherianoine; 7-hydroxy-6,8-dimethoxy-2-methyl-1-isoquinolinone; AC1NSTIB |
C12H13NO4 |
235.24 g/mol |
CN1C=CC2=CC(=C(C(=C2C1=O)OC)O)OC |
|
TCMBANKIN008961 |
(6S,7aS)-3,6-dimethyl-5,6,7,7a-tetrahydro-4H-benzofuran-2-one |
(6S,7aS)-3,6-dimethyl-5,6,7,7a-tetrahydro-4H-1-benzofuran-2-one |
|
166.24 |
|
|
TCMBANKIN009420 |
Ethyl glucoside |
(2R,3R,4S,5S,6R)-2-ethoxy-6-methylol-tetrahydropyran-3,4,5-triol; Glucoside, ethyl, D-; (2R,3R,4S,5S,6R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol; 30285-48-4; beta-D-Glucopyranoside, ethyl; 3198-49-0; (2R,3R,4S,5S,6R)-2-ethoxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol; Ethyl D-glucoside; EINECS 250-112-0 |
C8H16O6 |
208.21 |
CCOC1C(C(C(C(O1)CO)O)O)O |
|
TCMBANKIN009586 |
Fenchylacetate |
fenchyl acetate |
C12H20O2 |
196.29 |
CC(=O)OC1C(C2CCC1(C2)C)(C)C |
|
TCMBANKIN009704 |
secologanin_qt |
Loniceroside_qt |
C10H11NS |
177.27 |
|
|
TCMBANKIN009856 |
.beta.-Fenchyl acetate, exo- |
[(1S,2R,4R)-1,3,3-trimethylnorbornan-2-yl] acetate; acetic acid [(1S,2R,4R)-1,3,3-trimethyl-2-norbornanyl] ester; [(1S,4R,6R)-1,5,5-trimethyl-6-bicyclo[2.2.1]heptanyl] ethanoate; [(1S,4R,6R)-1,5,5-trimethyl-6-bicyclo[2.2.1]heptanyl] acetate; acetic acid [(1S,2R,4R)-1,3,3-trimethylnorbornan-2-yl] ester; Bicyclo(2.2.1)heptan-2-ol, 1,3,3-trimethyl-, acetate, (1S,2R,4R)-; 76109-40-5 |
C12H20O2 |
196.29 |
CC(=O)OC1C(C2CCC1(C2)C)(C)C |
|
TCMBANKIN009903 |
3-β-D-glucopyranosyl-3-epi-2-isocucurbic acid_qt |
|
|
212.32 |
|
|
TCMBANKIN010187 |
loganic acid_qt |
|
C16H24O10 |
376.36 |
|
|
TCMBANKIN010448 |
shanzhiside methyl ester_qt |
|
|
244.27 |
|
|
TCMBANKIN010652 |
8-epiloganin_qt |
|
|
228.27 |
|
|
TCMBANKIN010845 |
(2S,3S,4R,5R,6R)-3-[(2S,3R,5S,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5,6-trihydroxyoxane-2-carboxylic acid |
(2S,3S,4R,5R,6R)-3-[(2S,3R,5S,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5,6-trihydroxy-oxane-2-carboxylic acid; (2S,3S,4R,5R,6R)-3-[(2S,3R,5S,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4,5,6-trihydroxy-tetrahydropyran-2-carboxylic acid; (2S,3S,4R,5R,6R)-3-[(2S,3R,5S,6R)-3-acetamido-5-hydroxy-6-methylol-tetrahydropyran-2-yl]oxy-4,5,6-trihydroxy-tetrahydropyran-2-carboxylic acid; (2S,3S,4R,5R,6R)-3-[[(2S,3R,5S,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4,5,6-trihydroxy-2-tetrahydropyrancarboxylic acid |
|
381.38 |
|
|
TCMBANKIN010876 |
uttroside a_qt |
8-O-acetyl shanzhiside methyl ester_qt |
C19H28O12 |
448.42 |
|
|
TCMBANKIN011697 |
theobromine |
KBio1_000611; Thesodate; DivK1c_000611; Theostene; NCGC00016023-02; Thesal; 2,6-Dihydroxy-3,7-dimethylpurine; CAS-83-67-0; NCGC00024123-04; 3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione; MLS000028407; NCGC00016023-01; T4500_SIGMA; Spectrum2_000985; Spectrum3_000279; Theosalvose; 37T; SMR000058357; Theobromine [BAN]; Xanthine, 3,7-dimethyl-; Theobromine (natural); SPBio_002868; BRN 0016464; 83-67-0; KBio2_000433; AIDS022717; Theobromine; 3,7-dimethylpurine-2,6-dione; 1H-purine-2,6-dione,3,7-dihydro-3,7- dimethyl- (9CI); EU-0101187; 3,7-Dihydro-3,7-dimethyl-1H-purine-2,6-dione; 3,7-Dimethylxanthine; ZINC00002151; NSC5039; Spectrum_000053; NSC 5039; 5-26-13-00553 (Beilstein Handbook Reference); BPBio1_001043; Lopac-T-4500; SDCCGMLS-0002875.P003; Prestwick1_000874; Spectrum5_001387; Prestwick0_000874; Prestwick3_000874; KBio2_003001; KBioSS_000433; KBio3_001258; NCGC00024123-05; IDI1_000611; BSPBio_000947; 5-26-13-00553 (Beilstein); WLN: T56 BN DN FNVMVJ B1 F1; KBio2_005569; SPBio_001049; KBioGR_000666; Theobromin; Lopac0_001187; PDSP2_001001; Santheose; BSPBio_001758; AIDS-022717; SBB012378; SC 15090; FEMA No. 3591; CCRIS 2350; EINECS 201-494-2; Prestwick2_000874; PDSP1_001017; CHEBI:28946; Spectrum4_000403; Prestwick_1054; Teobromin; NINDS_000611; Diurobromine; LS-1828; 2,6-Dihydroxy-3,7-dimethyl-purine; 1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-; C07480; c1095; NCGC00024123-08; SPECTRUM1500649 |
C7H8N4O2 |
180.16 |
CN1C=NC2=C1C(=O)NC(=O)N2C |
|
TCMBANKIN011769 |
1(3H)-Isobenzofuranone, 3-butyl-3a,4,5,6-tetrahydro-, cis-(-)- |
4567-33-3; (3S,3aR)-3-butyl-3a,4,5,6-tetrahydro-3H-2-benzofuran-1-one; (3S,3aR)-3-butyl-3a,4,5,6-tetrahydro-3H-isobenzofuran-1-one |
C12H18O2 |
194.27 |
CCCCC1C2CCCC=C2C(=O)O1 |
|
TCMBANKIN011772 |
(3R,6E,10S)-3-isopropyl-6,10-dimethylcyclodec-6-ene-1,4-dione |
(3R,6E,10S)-3-isopropyl-6,10-dimethyl-cyclodec-6-ene-1,4-dione; (3R,6E,10S)-6,10-dimethyl-3-propan-2-yl-cyclodec-6-ene-1,4-dione; (3R,6E,10S)-6,10-dimethyl-3-propan-2-ylcyclodec-6-ene-1,4-dione; (3R,6E,10S)-3-isopropyl-6,10-dimethyl-cyclodec-6-ene-1,4-quinone |
C15H24O2 |
236.35 |
|
|
TCMBANKIN011806 |
Acetovanillin |
ZINC00166877; NSC25863; (4-methanoyl-2-methoxy-phenyl) ethanoate; Benzaldehyde, 4-(acetyloxy)-3-methoxy-; W310808_ALDRICH; 4-(Acetyloxy)-3-methoxybenzaldehyde; ST5213429; acetic acid (4-formyl-2-methoxyphenyl) ester; 4-Formyl-2-methoxyphenol acetate; Vanillin acetate; NSC 8499; O-Acetylvanillin; Acetylvanillin; (4-formyl-2-methoxyphenyl) acetate; Vanillin, acetate; 4736-37-2; 881-68-5; NSC 25863; Vanillin, acetate (8CI); 258601_ALDRICH; (4-formyl-2-methoxy-phenyl) acetate; 4-O-Acetylvanillin; acetic acid (4-formyl-2-methoxy-phenyl) ester; 4-Formyl-2-methoxyphenyl acetate; FEMA No. 3108; NSC8499; EINECS 212-920-1; 4-Acetoxy-3-methoxybenzaldehyde |
C10H10O4 |
194.18 |
CC(=O)OC1=C(C=C(C=C1)C=O)OC |
|
TCMBANKIN012291 |
n-butyl-α-D-fructopyranoside |
n butyl-α-D-fructopyranoside |
|
236.3 |
|
|
TCMBANKIN012351 |
Schizonepetoside C_qt |
|
|
168.26 |
|
|
TCMBANKIN013348 |
Ajugoside_qt |
ajugoside_qt |
C17H26O10 |
390.38 |
|
|
TCMBANKIN013493 |
deacetyl asperuloside acid_qt |
Deacetyl asperulosidic acid methyl ester_qt |
|
242.25 |
|
|
TCMBANKIN013593 |
jioglutin E |
jioglutin e |
C11H20O5 |
232.27 g/mol |
CC1(CC(C2C1C(OC(C2)OC)OC)O)O |
|
TCMBANKIN013606 |
(2R,8aS)-2,5,5,8a-tetramethyl-3,6-dihydro-2H-chromene |
|
C13H20O |
192.3 |
|
|
TCMBANKIN013961 |
7,8-Dehydropenstemoside_qt |
|
|
242.25 |
|
|
TCMBANKIN014266 |
schizonepetoside A_qt |
|
|
168.26 |
|
|
TCMBANKIN014350 |
Tar |
95330_FLUKA; NCIStruc2_000222; CHEBI:15672; NSC-155080; 95320_FLUKA; C02107; T206_ALDRICH; (S,S)-Tartrate; NCIStruc1_000172; T400_ALDRICH; D-threaric acid; (2S,3S)-2,3-dihydroxybutanedioic acid; (2S,3S)-Tartaric acid; DL-2,3-Dihydroxybutanedioic acid; 483796_ALDRICH; D-Tartaric acid; D-Tartrate; D(-)-TARTARIC ACID; D-(−)-Tartaric acid; (S,S)-Tartaric acid; 03918_FLUKA; (-)-Weinsaeure; 147-71-7; Linksweinsaeure; (-)-Tartaric acid; NCI155080; (2S,3S)-(−)-Tartaric acid; NCGC00014424 |
C4H6O6 |
150.09 |
C(C(C(=O)O)O)(C(=O)O)O |
|
TCMBANKIN014360 |
schizonol |
2-Cyclohexen-1-one, 2-(1-hydroxy-1-methylethyl)-5-methyl-, (5R)-; 35736-66-4; (5R)-2-(2-HYDROXYPROPAN-2-YL)-5-METHYLCYCLOHEX-2-EN-1-ONE; CTK1B6730; SNBPZAIQWQXUCR-SSDOTTSWSA-N; (5R)-5-Methyl-2-(1-hydroxy-1-methylethyl)-2-cyclohexene-1-one; Schizonol; DTXSID80453772; (-)-1R-8-Hydroxy-p-menth-4-en-3-one; 2-(1-Hydroxy-1-methylethyl)-5-methyl-2-cyclohexen-1-one # |
C10H16O2 |
168.23 g/mol |
CC1CC=C(C(=O)C1)C(C)(C)O |
|
TCMBANKIN014908 |
ZINC00388662 |
|
C12H20O2 |
196.29 |
|
|
TCMBANKIN014917 |
()-Camphoric acid |
C409_ALDRICH; (1R,3S)-1,2,2-trimethylcyclopentane-1,3-dicarboxylic acid; (1R,3S)-()-Camphoric acid; (1R,3S)-1,2,2-Trimethyl-1,3-cyclopentanedicarboxylic acid |
C10H16O4 |
200.23 |
CC1(C(CCC1(C)C(=O)[O-])C(=O)[O-])C |
|
TCMBANKIN015169 |
schizonepetoside E_qt |
|
|
186.28 |
|
|
TCMBANKIN015342 |
D 3 (ester) |
Monomethyl 1,2-benzenedicarboxylate; NCGC00164438-01; NSC8281; 36926_RIEDEL; D 3 (VAN); Methyl hydrogen phthalate; InChI=1/C9H8O4/c1-13-9(12)7-5-3-2-4-6(7)8(10)11/h2-5H,1H3,(H,10,11; Phthalic acid, monomethyl ester; Methyl phthalate; o-(Methoxycarbonyl)benzoic acid; 317640_ALDRICH; mono-Methyl phthalate; 2-carbomethoxybenzoic acid; EINECS 224-476-6; Methyl phthalate (VAN); NSC 8281; 1,2-Benzenedicarboxylic acid, monomethyl ester (9CI); AR-360/13197749; 4376-18-5; D 3; SBB007828; FR-0410; 2-(methoxycarbonyl)benzoic acid; Phthalic acid, monomethyl ester (8CI); 2-methoxycarbonylbenzoic acid; AI3-02332; 80160_FLUKA; Monomethyl phthalate; 1,2-Benzenedicarboxylic acid, monomethyl ester |
C9H8O4 |
180.16 |
COC(=O)C1=CC=CC=C1C(=O)O |
|
TCMBANKIN015357 |
turmeronol A |
turmeronol a |
C15H20O2 |
232.32 |
CC1=C(C=C(C=C1)C(C)CC(=O)C=C(C)C)O |
|
TCMBANKIN015378 |
Spiroxabovolide |
|
C11H16O3 |
196.24 |
CC1CCCC2(O1)C(=C(C(=O)O2)C)C |
|
TCMBANKIN015526 |
musk ambrette |
|
C12H16N2O5 |
268.27 |
CC1=C(C=C(C(=C1[N+](=O)[O-])OC)C(C)(C)C)[N+](=O)[O-] |
|
TCMBANKIN015542 |
SHANZHISIDE_qt |
|
|
230.24 |
|
|
TCMBANKIN015632 |
forsythidmethylester_qt |
|
|
242.25 |
|
|
TCMBANKIN015754 |
2-[(2R,5R,6R)-6,10-dimethylspiro[4.5]dec-9-en-2-yl]propan-2-ol |
2-[(2R,5R,6R)-6,10-dimethyl-2-spiro[4.5]dec-9-enyl]propan-2-ol |
C15H26O |
222.37 |
|
|
TCMBANKIN015837 |
1-Oxaspiro[2.5]octan-4-one, 5,6,6-trimethyl-5-(3-oxo-1-butenyl)-, [3a,5b(Z)]- |
|
|
236.34 |
|
|
TCMBANKIN015838 |
3-methoxy-1H-quinazoline-2,4-dione |
2,4(1H,3H)-Quinazolinedione, 3-methoxy-; 3-methoxy-1H-quinazoline-2,4-quinone; 3-Methoxy-2,4(1H,3H)-quinazolinedione; NSC193560; 41120-18-7 |
C9H8N2O3 |
192.17 |
CON1C(=O)C2=CC=CC=C2NC1=O |
|
TCMBANKIN015894 |
Kingiside_qt |
kingiside_qt |
|
242.25 |
|
|
TCMBANKIN016238 |
AMG |
Methyl alpha-D-galactopyranoside; 34004-14-3; (2S,3R,4S,5R,6R)-2-methoxy-6-methylol-tetrahydropyran-3,4,5-triol; ALPHA-METHYL-D-GALACTOSIDE; Methyl alpha-D-galactoside; M1379_SIGMA; ZINC04262102; EINECS 222-251-7; (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-methoxytetrahydropyran-3,4,5-triol; (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-methoxy-tetrahydropyran-3,4,5-triol; (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-methoxy-oxane-3,4,5-triol; (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol; 66916_FLUKA |
C7H16O7 |
212.2 g/mol |
COC1C(C(C(C(O1)CO)O)O)O.O |
|
TCMBANKIN016949 |
(2S,3R,4R,5S,6R)-2-[[(1S,4aS,5R,7aR)-4a,5-dihydroxy-7-methylol-5,7a-dihydro-1H-cyclopenta[c]pyran-1-yl]oxy]-6-methylol-tetrahydropyran-3,4,5-triol |
(2S,3R,4R,5S,6R)-2-[[(1S,4aS,5R,7aR)-4a,5-dihydroxy-7-(hydroxymethyl)-5,7a-dihydro-1H-cyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol; (2S,3R,4R,5S,6R)-2-[[(1S,4aS,5R,7aR)-4a,5-dihydroxy-7-(hydroxymethyl)-5,7a-dihydro-1H-cyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
|
362.37 |
|
|
TCMBANKIN016994 |
Villosol |
LMPK12060064; villosol; 6a,12-Didehydrosumatrol; SCHEMBL419039; Villosolside_qt |
C16H26O9 |
362.37 |
CC(=C)C1CC2=C(O1)C=C(C3=C2OC4=C(C3=O)C5=CC(=C(C=C5OC4)OC)OC)O |
|
TCMBANKIN017396 |
scandoside_qt |
scandoside methyl ester_qt; Scandoside_qt; Scandoside methyl ester_qt; DEACETYLASPERULOSIDICACID_qt |
C16H22O11 |
390.34 |
|
|
TCMBANKIN017403 |
alpinolide peroxide |
|
C15H22O5 |
282.33 |
|
|
TCMBANKIN017610 |
Carpesia lactone |
carpesia lactone |
C15H20O3 |
248.32 g/mol |
CC1CCC2C(C(=O)OC2C3C1C(=O)C=C3C)C |
|
TCMBANKIN017935 |
S(-)-Secobarbital |
5-allyl-5-[(1S)-1-methylbutyl]hexahydropyrimidine-2,4,6-trione; 5-[(2S)-pentan-2-yl]-5-prop-2-enyl-1,3-diazinane-2,4,6-trione; 20224-45-7; BARBITURIC ACID, 5-ALLYL-5-(1-METHYLBUTYL)-, (S)-(-)-; S(-)-5-Allyl-5-(1-methylbutyl)-barbituric acid; 5-allyl-5-[(1S)-1-methylbutyl]barbituric acid; 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methylbutyl)-5-(2-propenyl)-, (S)- (9CI) |
C12H18N2O3 |
238.28 |
CCCC(C)C1(C(=O)NC(=O)NC1=O)CC=C |
|
TCMBANKIN017993 |
vitamin c |
D01CWN; Cell C; Ronotec 100; P 1110; Suncoat VC 40; D-threo-hex-2-enoic acid gamma-lactone; Citrovit; 2-o-(beta-d-glucopyranosyl)-ascorbic acid_qt; Juvamine; SCHEMBL13468284; Vasc; CHEBI:51384; D-Lyxoascorbic acid; CHEMBL1253320; AK481251; Chewcee; D-xyloascorbic acid; C8DQ5M1Y1E; MLS001066386; AK322241; Ascorbic acid, D-; AC1LD8K5; E 300; Scorbu C; 10504-35-5; Ascorbicacid; l(+)-ascorbic acid; ZINC100006137; L-ascorbate (vitamin C); (5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyfuran-2(5H)-one; (+)-Ascorbic acid; UNII-C8DQ5M1Y1E; Ascorbinsaure; Ceklin; VC 97; (2S)-2-[(1R)-1,2-bis(oxidanyl)ethyl]-4,5-bis(oxidanyl)furan-3-one; Vicin; L-ascorbate acid; L-ascorbic acid; L-dehydroascorbic acid; ascorbate; D-threo-hex-2-enono-1,4-lactone; Kangbingfeng; D-Ascorbic acid; Viscorin 100M; ZINC100028197; (2S)-2-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxy-3-furanone; L-Ascorbic acid (8CI,9CI); Proscorbin Redoxon Ribena Ronotec 100; Hex-2-enonic acid gamma-lactone, L-threo; (5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2,5-dihydrofuran-2-one; Ascorbic acid; DL-Ascorbic acid; AKOS000278050; Cebion, gamma-lactone; F91F7DA3-A3D5-4FB4-A6E7-C497C48D192A; GTPL4651; SMR000471843; Xyloascorbic acid, L-; Rontex 100; Rovimix C; (2S)-2-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxyfuran-3-one; A828310 |
C6H8O6 |
176.12 |
C(C(C1C(=C(C(=O)O1)O)O)O)O |
|
TCMBANKIN018203 |
deacetylasperulosidic acid _qt |
deacetyl asperulosidic acid methyl ester_qt |
C16H22O11 |
390.34 |
|
|
TCMBANKIN018220 |
(9aS,9bR)-3,6,9-trimethyl-5,7,9a,9b-tetrahydro-4H-azuleno[5,4-d]furan-2-one |
|
|
230.33 |
|
|
TCMBANKIN018234 |
Schizonepetoside D_qt |
|
|
168.26 |
|
|
TCMBANKIN018463 |
1,3- dihydroxy-3-methylanthraquinone |
|
|
254.25 |
|
|
TCMBANKIN018669 |
safranal |
EBD956040; 2,3-Dihydro-2,2,6-TriMethyl-Benzaldehyde; 1,1,3-Trimethyl-2-formylcyclohexa-2,4-diene; CHEMBL3183495; 2,6,6-trimethyl-1-cyclohexa-1,3-dienecarboxaldehyde; AT-2733; EINECS 204-133-7; 2,6,6-Trimethyl-1,3-cyclohexadienecarboxaldehyde, 9CI; CAS-116-26-7; InChI=1/C10H14O/c1-8-5-4-6-10(2,3)9(8)7-11/h4-5,7H,6H2,1-3H; 2,6,6-Trimethyl-1,3-cyclohexadienal; 1-Formyl-2,6,6-trimethyl-1,3-cyclohexadiene; Safranal; 1,3-CYCLOHEXADIENE-1-CARBOXALDEHYDE, 2,6,6-TRIMETHYL-; 2.2.6-Trimethyl-I""4.6-dihydrobenzaldehyd; InChI=1/C10H14O/c1-8-5-4-6-10(2,3)9(8)7-11/h4-5,7H,6H2,1-3H3; 3,4-didehydro-7-apo-b-caroten-7-al; AK400488; UNII-4393FR07EA; AC1Q2EVK; Dehydro-beta-cyclocitral; C-02865; AN-22757; LS-3133; Dehydro-b-cyclocitral; DSSTox_GSID_49398; 2,6,6-Trimethyl-1,3-cyclohexadiene-1-carbaldehyde; 2,6,6-trimethylcyclohexa-1,3-diene-1-carbaldehyde;; AC1Q6BK7; FT-0631664; (2,6,6-Trimethylcyclohexa-1,3-dienyl)methanal; DSSTox_RID_83473; FEMA 3389; C17062; Safranal;; 4393FR07EA; 2,6,6-Trimethylcyclohexa-1,3-dienylmethanal; DSSTox_CID_29357; NCGC00260271-01; ZINC1851022; 2,6,6-trimethylcyclohexa-1,3-dienecarbaldehyde;; 2,6,6-trimethylcyclohexa-1,3-diene-1-carbaldehyde; AC1L1UF0; SCHEMBL23561; CJ-30568; DB-019750; 116-26-7; FEMA No. 3389; 1,3-Cyclohexadiene-1-carboxaldehyde,2,6,6-trimethyl-; 2,6,6-Trimethyl-cyclohexa-1,3-diencarbaldehyd;; A803586; 17306_FLUKA; 2,6,6-Trimethylcyclohexa-1,3-dienyl methanal; SGAWOGXMMPSZPB-UHFFFAOYSA-; CHEBI:53169; FCH1119840; SGAWOGXMMPSZPB-UHFFFAOYSA-N; AKOS022504707; Tox21_202723; KB-16884; W338907_ALDRICH; 2,6,6-trimethylcyclohexa-1,3-dienecarbaldehyde; CC-06928; Safranal, >=90%, stabilized; DTXSID7049398; J-003414; 2,6,6-trimethyl-cyclohexa-1,3-dienecarbaldehyde;; 2,6,6-Trimethyl-1,3-cyclohexadiene-1-carbaldehyde #; 2,6,6-trimethyl-1,3-cyclohexadiene-1-carboxaldehyde; VZ22271; CTK7H7827; 2,3-Dihydro-2,2,6-trimethylbenzaldehyde |
C10H14O |
150.22 |
CC1=C(C(CC=C1)(C)C)C=O |
|
TCMBANKIN019543 |
2-[(1S)-4-methyl-5-oxo-1-cyclohex-3-enyl]propan-2-yl acetate |
acetic acid [1-methyl-1-[(1S)-4-methyl-5-oxo-1-cyclohex-3-enyl]ethyl] ester; acetic acid [1-[(1S)-5-keto-4-methyl-1-cyclohex-3-enyl]-1-methyl-ethyl] ester; 2-[(1S)-4-methyl-5-oxo-1-cyclohex-3-enyl]propan-2-yl ethanoate; [1-methyl-1-[(1S)-4-methyl-5-oxo-1-cyclohex-3-enyl]ethyl] acetate |
C12H18O3 |
210.27 |
|
|
TCMBANKIN020283 |
methyl 2-hydroxy-3,4-dimethoxybenzoate |
ODKFBQCYKKPNLJ-UHFFFAOYSA-N; 2-hydroxy-3,4-dimethoxy-benzoic acid methyl ester; methyl 2-hydroxy-3,4-dimethoxy-benzoate; 6395-23-9; methyl 2-hydroxy-3,4-dimethoxy benzoate; SCHEMBL1434290; 2-hydroxy-3,4-dimethoxybenzoic acid methyl ester; Methyl 2-hydroxy-3,4-dimethoxy benzoate; Methyl 3,4-dimethoxy-2-hydroxybenzoate; AC1NSYFM; 3,4-Dimethoxysalicylic acid methyl ester |
C10H12O5 |
212.2 |
COC1=C(C(=C(C=C1)C(=O)OC)O)OC |
|
TCMBANKIN020620 |
10-Hydroxyoleoside dimethyl ester_qt |
|
|
272.28 |
|
|
TCMBANKIN020777 |
(2R,3S)-2-amino-3-hydroxy-succinic acid |
(2R,3S)-2-amino-3-hydroxy-butanedioic acid; Lopac-H-2775; (2R,3S)-2-amino-3-hydroxybutanedioic acid; NCGC00015504-01 |
C4H7NO5 |
149.1 |
C(C(C(=O)O)O)(C(=O)O)N |
|
TCMBANKIN020933 |
Physovenine |
physovenine; H67Q5553UW; CHEMBL205231; (-)-Physovenine; (3aS)-3aalpha,8-Dimethyl-5-(methylcarbamoyloxy)-3,3a,8,8aalpha-tetrahydro-2H-furo[2,3-b]indole; N-methylcarbamic acid [(3aS,8bS)-4,8b-dimethyl-2,3a-dihydro-1H-furo[2,3-b]indol-7-yl] ester; C09232; AC1L9C9Q; SCHEMBL1666015; 2H-Furo(2,3-b)indol-5-ol, 3,3a,8,8a-tetrahydro-3a,8-dimethyl-, methylcarbamate (ester), (3aS-cis)-; (3AS,8AS)-3A,8-DIMETHYL-2H,3H,8AH-FURO[2,3-B]INDOL-5-YL N-METHYLCARBAMATE; [(3aS,8bS)-4,8b-dimethyl-2,3a-dihydro-1H-furo[2,3-b]indol-7-yl] N-methylcarbamate; CHEBI:8188; UNII-H67Q5553UW; 6091-05-0 |
C14H18N2O3 |
262.3 |
CC12CCOC1N(C3=C2C=C(C=C3)OC(=O)NC)C |
|
TCMBANKIN020999 |
3-isopropyl-6-isobutyl-2,5-piperazinedione |
|
C11H20N2O2 |
212.29 |
|
|
TCMBANKIN021088 |
Deoxyarteannuin B |
78092-22-5; InChI=1/C15H20O2/c1-9-4-6-12-10(2)5-7-13-11(3)14(16)17-15(12,13)8-9/h8,10,12-13H,3-7H2,1-2H3/t10-,12+,13+,15-/m1/s; 6,9-Dimethyl-3-methylene-3,3a,4,5,6,6a,7,8-octahydro-1-oxa-cyclopenta[d]naphthalen-2-one; rel-(3aR,6S,6aR,10aR)-6,9-dimethyl-3-methylene-3,3a,4,5,6,6a,7,8-octahydro-2H-naphtho[8a,1-b]furan-2-one; 2H-naphtho[8a,1-b]furan-2-one, 3,3a,4,5,6,6a,7,8-octahydro-6,9-dimethyl-3-methylene-, (3aS,6R,6aS,10aS)- |
C15H20O2 |
232.32 |
CC1CCC2C(=C)C(=O)OC23C1CCC(=C3)C |
|
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 |
|
TCMBANKIN021122 |
sedanoic-acid |
|
C12H18O3 |
210.27 |
|
|
TCMBANKIN021284 |
alpha-D-glucuronic acid |
(2S,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid; (2S,3S,4S,5R,6S)-3,4,5,6-tetrahydroxytetrahydropyran-2-carboxylic acid; alpha-D-glucopyranuronic acid; CHEBI:42717; (2S,3S,4S,5R,6S)-3,4,5,6-tetrahydroxy-2-tetrahydropyrancarboxylic acid |
C48H74O20 |
971.09 |
C1(C(C(OC(C1O)O)C(=O)O)O)O |
|
TCMBANKIN021321 |
2,4,4-Trimethyl-3-(3-oxobutyl)cyclohex-2-enone |
3-(3-ketobutyl)-2,4,4-trimethyl-cyclohex-2-en-1-one; 2,4,4-trimethyl-3-(3-oxobutyl)cyclohex-2-en-1-one; 2,4,4-Trimethyl-3-(3-oxobutyl)-2-cyclohexen-1-one; 2,4,4-trimethyl-3-(3-oxobutyl)-1-cyclohex-2-enone |
C13H20O2 |
208.3 |
CC1=C(C(CCC1=O)(C)C)CCC(=O)C |
|
TCMBANKIN021519 |
Fraxinol |
fraxinol; 6-hydroxy-5,7-dimethoxy-2-chromenone; 486-28-2; 2H-1-Benzopyran-2-one, 6-hydroxy-5,7-dimethoxy-; 6-hydroxy-5,7-dimethoxy-chromen-2-one; 6-hydroxy-5,7-dimethoxychromen-2-one; 6-hydroxy-5,7-dimethoxy-coumarin |
C11H10O5 |
222.19 |
COC1=C(C(=C2C=CC(=O)OC2=C1)OC)O |
|
TCMBANKIN021691 |
Labroda |
1-(2,4,6-trihydroxyphenyl)propan-1-one; 13907 R.P.; Chlonarin; Argobyl; Flopropion; Supazlun; Spectrum2_000954; NSC97909; KBio3_001498; IDI1_000482; Ephtanon; Labrodax; Ephtanon (TN); D01259; 3-08-00-03413 (Beilstein Handbook Reference); Flopropiona [INN-Spanish]; 2295-58-1; NCGC00094817-01; Flopropione (JP15); 13907 R. P.; RP 13907; BRN 2096799; NSC 97909; KBioSS_001043; Phloropropionone; KBio1_000482; Gasstenon; BSPBio_001998; Propiophloroglucine; PROPIOPHENONE, 2',4',6'-TRIHYDROXY-; NCGC00094817-02; SPBio_000948; NINDS_000482; Spectrum5_001471; Spectrum4_000391; 1-(2,4,6-Trihydroxyphenyl)-1-propanone; Ecapron; SPECTRUM1500629; Spectrum3_000579; KBio2_006179; Flopropionum [INN-Latin]; Propionylphloroglucinol; Phloropropiophenone; Flopropione; KBio2_003611; Spectrum_000563; AI3-36955; Supanate; Cospanon; Labrodax supanate; Flopropione [DCF:INN:JAN]; 2,4,6-Trihydroxypropiophenone; DivK1c_000482; KBioGR_000941; 1-Propanone, 1-(2,4,6-trihydroxyphenyl)-; 2',4',6'-Trihydroxypropiophenone; KBio2_001043; EINECS 218-942-8 |
C9H10O4 |
182.17 |
CCC(=O)C1=C(C=C(C=C1O)O)O |
|
TCMBANKIN021815 |
harpagide acetate_qt |
|
|
228.27 |
|
|
TCMBANKIN021895 |
pectin |
(2S,3R,4S,5R,6R)-3,4,5,6-tetrahydroxy-2-tetrahydropyrancarboxylic acid; 14982-50-4; (2S,3R,4S,5R,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid; GTR; C08348; Galacturonic acid; (2S,3R,4S,5R,6R)-3,4,5,6-tetrahydroxytetrahydropyran-2-carboxylic acid |
C6H10O7 |
194.14 |
C1(C(C(OC(C1O)O)C(=O)O)O)O |
|
TCMBANKIN022046 |
3-O-Ethylascorbic acid |
(5R)-5-[(1S)-1,2-dihydroxyethyl]-4-ethoxy-3-hydroxyfuran-2(5H)-one; 3-O-Ethyl-L-ascorbic acid; 86404-04-8; CCRIS 7479; (5R)-5-[(1S)-1,2-dihydroxyethyl]-4-ethoxy-3-hydroxy-5H-furan-2-one |
C8H12O6 |
204.18 |
CCOC1=C(C(=O)OC1C(CO)O)O |
|
TCMBANKIN022408 |
ZINC04023242 |
(3S,8aR)-3-isobutyl-2,3,6,7,8,8a-hexahydropyrrolo[2,1-f]pyrazine-1,4-quinone; (3S,8aR)-3-isobutyl-2,3,6,7,8,8a-hexahydropyrrolo[2,1-f]pyrazine-1,4-dione; (3S,8aR)-3-(2-methylpropyl)-2,3,6,7,8,8a-hexahydropyrrolo[2,1-f]pyrazine-1,4-dione |
|
210.31 |
|
|
TCMBANKIN023202 |
swermirin |
|
C10H10O4 |
194.18 |
|
|
TCMBANKIN024101 |
dihydrodioscorine |
|
C13H21NO2 |
223.31 g/mol |
CC1CC(=O)OC2(C1)CC3CCC2CN3C |
|
TCMBANKIN024131 |
jioglutolide |
|
C9H14O4 |
186.2 g/mol |
CC1(CC(C2C1COC(=O)C2)O)O |
|
TCMBANKIN024207 |
4,6,7-trimethoxy-5-methyl-2H-chromen-2-one |
|
C13H14O5 |
250.25 g/mol |
CC1=C2C(=CC(=C1OC)OC)OC(=O)C=C2OC |
|
TCMBANKIN024554 |
3-methyl-6-sec-butyl-2,5-piperazinedione |
|
|
184.27 |
|
|
TCMBANKIN024866 |
Rubroflavin |
[[2-methylsulfanyl-6-[(S)-methylsulfinyl]-4-oxo-1-cyclohexa-2,5-dienylidene]amino]urea; Hydrazinecarboxamide, 2-(2-(methylsulfinyl)-6-(methylthio)-4-oxo-2,5-cyclohexadien-1-ylidene)-, (S-(Z))-; [[2-[(S)-methylsulfinyl]-6-(methylthio)-4-oxo-1-cyclohexa-2,5-dienylidene]amino]urea; 138749-63-0; [[4-keto-2-[(S)-methylsulfinyl]-6-(methylthio)-1-cyclohexa-2,5-dienylidene]amino]urea |
C9H11N3O3S2 |
273.33 |
CSC1=C(C(=CC(=C1)O)S(=O)C)N=NC(=O)N |
|
TCMBANKIN024941 |
paeonin,b_qt |
|
|
196.22 |
|
|
TCMBANKIN025224 |
hastatoside_qt |
|
C17H24O11 |
404.37 |
|
|
TCMBANKIN025253 |
deoxyisoartemisinin b |
|
C15H20O2 |
232.32 |
|
|
TCMBANKIN025340 |
(E)-linalool oxide acetate pyr |
[(3S,6R)-2,2,6-trimethyl-6-vinyl-tetrahydropyran-3-yl] acetate; trans-Linalool oxide (pyranoid), acetate; [(3S,6R)-6-ethenyl-2,2,6-trimethyl-oxan-3-yl] ethanoate; [(3S,6R)-6-ethenyl-2,2,6-trimethyloxan-3-yl] acetate; trans-Linalool oxide acetate (pyranoid); acetic acid [(3S,6R)-2,2,6-trimethyl-6-vinyl-tetrahydropyran-3-yl] ester; acetic acid [(3S,6R)-2,2,6-trimethyl-6-vinyl-3-tetrahydropyranyl] ester |
C10H18O2 |
170.25 |
CC(=O)OC1CCC(OC1(C)C)(C)C=C |
|
TCMBANKIN025409 |
(-)-Drimenol |
(-)-Drim-7-en-11-ol; ACon1_002057; 1-Naphthalenemethanol, 1,4,4a,5,6,7,8,8a-octahydro-2,5,5,8a-tetramethyl-, (1S,4aS,8aS)-; (1S-(1alpha,4abeta,8aalpha))-1,4,4a,5,6,7,8,8a-Octahydro-2,5,5,8a-tetramethyl-1-naphthalenemethanol; delta7,(8)-15-Hydroxyiresane; [(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methanol; 1-Naphthalenemethanol, 1,4,4a,5,6,7,8,8a-octahydro-2,5,5,8a-tetramethyl-, (1S-(1alpha,4abeta,8aalpha))-; 1-Naphthalenemethanol, 1alpha,4,4aalpha,5,6,7,8,8a-octahydro-2,5,5,8a-tetramethyl-, (-)- |
C15H26O |
222.37 |
CC1=CCC2C(CCCC2(C1CO)C)(C)C |
|
TCMBANKIN025926 |
7, 8-dihydroxy-4,5-dimethyl-3,4-dihydronaphthalen-1( 2H ) -one |
|
C15H22O |
218.33 |
CC1CCC(=O)C2=C1C(=CC(=C2O)O)C |
|
TCMBANKIN026084 |
4-(2,6,6-Trimethyl-1-cyclohexenl-yl)-3-buten-2-ol |
4-(2,6,6-trimethyl-1-cyclohexenal-yl)-3-buten-2-ol |
|
222.36 |
|
|
TCMBANKIN026104 |
Ipolamiide_qt |
|
C17H26O11 |
406.38 |
|
|
TCMBANKIN026535 |
[(1S,2S,4S)-1,7,7-trimethylnorbornan-2-yl] propanoate |
propanoic acid [(1S,2S,4S)-1,7,7-trimethyl-2-norbornanyl] ester; [(1S,4S,6S)-1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl] propanoate |
C13H22O2 |
210.31 |
|
|
TCMBANKIN026717 |
sparassol |
methyl 4-methoxy-6-methyl-salicylate; Spectrum2_000404; UNII-49LGW9K0EH; CHEBI:92544; Spectrum5_001794; Sparassol; 520-43-4; Methyl 2-hydroxy-4-methoxy-6-methylbenzoate; PFVPJOAAHSOENR-UHFFFAOYSA-N; AKOS000278016; KBioGR_001562; Sparassol [MI]; SPECTRUM210924; Spectrum4_000951; BG01204997; SPBio_000328; 49LGW9K0EH; SCHEMBL950536; SR-05000002435; SDCCGMLS-0066908.P001; 2-hydroxy-4-methoxy-6-methylbenzoic acid methyl ester; Methyl everninate; CHEMBL1595401; METHYL EVERNINIC ACID; Methyl 2-hydroxy-4-methoxy-6-methylbenzoate #; 2-hydroxy-4-methoxy-6-methyl-benzoic acid methyl ester; KBio3_001208; Methyl 4-methoxy-6-methylsalicylate; AC1LC8Q4; Benzoic acid, 2-hydroxy-4-methoxy-6-methyl-, methyl ester; BSPBio_001708; CCG-38673; 2-Hydroxy-4-methoxy-6-methylbenzoic acid methyl ester; SR-05000002435-1; Spectrum3_000264; NCGC00095818-02; methyl 2-hydroxy-4-methoxy-6-methyl-benzoate; NCGC00095818-01; BRD-K31477169-001-01-3 |
C10H12O4 |
196.2 g/mol |
CC1=CC(=CC(=C1C(=O)OC)O)OC |
|
TCMBANKIN027128 |
aucubigenin |
64274-28-8; (1R,4aR,5S,7aS)-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1,5-diol; Cyclopenta(c)pyran-1,5-diol, 1,4a,5,7a-tetrahydro-7-(hydroxymethyl)-, (1R-(1alpha,4aalpha,5alpha,7aalpha))-; (1R,4aR,5S,7aS)-7-methylol-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1,5-diol |
C9H12O4 |
184.19 |
C1=COC(C2C1C(C=C2CO)O)O |
|
TCMBANKIN027150 |
BDF |
Fructose, pyranose form; (2R,3S,4R,5R)-2-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol; CHEBI:41005; Frutabs; 7660-25-5; (2R,3S,4R,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol; ZINC03861095; Fructopyranose, beta-D-; beta-D-Fructopyranose; HSDB 526; BRN 1423189; 4-01-00-04402 (Beilstein Handbook Reference); (2R,3S,4R,5R)-2-methyloltetrahydropyran-2,3,4,5-tetrol |
C6H12O6 |
180.16 |
C1C(C(C(C(O1)(CO)O)O)O)O |
|
TCMBANKIN027292 |
dihydroepideoxyarteannuin b |
dihydro-epi-deoxyarteannuin b |
C15H22O2 |
234.33 |
CC1CCC2C(C(=O)OC23C1CCC(=C3)C)C |
|
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 |
|
TCMBANKIN028499 |
7-hydroxy-9-hydroxymethyl-3-oxo- |
|
|
182.24 |
|
|
TCMBANKIN028754 |
desacetyl asperulosidic acid_qt |
|
C16H22O11 |
390.34 |
|
|
TCMBANKIN028899 |
(+)-(Z)-Methyl epijasmonate |
methyl 2-[(1S,2S)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]ethanoate; methyl 2-[(1S,2S)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate; 2-[(1S,2S)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid methyl ester; 2-[(1S,2S)-3-keto-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid methyl ester |
C13H20O3 |
224.3 g/mol |
CCC=CCC1C(CCC1=O)CC(=O)OC |
|
TCMBANKIN029637 |
IPMC |
OMS-33; 2-Isopropoxyphenyl methylcarbamate; SPBio_001104; 2-Isopropoxyphenyl N-methylcarbamate; KBio2_007594; O-(2-Isopropoxyphenyl) N-methylcarbamate; C14334; Bay 9010; NCGC00094544-02; Blattosep; (2-propan-2-yloxyphenyl) N-methylcarbamate; Caswell No. 508; Boruho 50; Mrowkozol; Spectrum3_000857; CCRIS 1392; Propotox; ENT 25,671; Invisi-Gard; HSDB 603; Chemagro 9010; Carbamic acid, methyl-, o-isopropoxyphenyl ester; PHC 7; (2-isopropoxyphenyl) N-methylcarbamate; BSPBio_002473; Blattanex; SpecPlus_000554; Unden (pesticide); Spectrum2_001232; PS551_SUPELCO; Baygon; KBio1_001594; BAY 5122; o-IMPC; NSC379584; CHEBI:34938; Propoxylor; Propoxure; EPA Pesticide Chemical Code 047802; KBioSS_002465; 45644_RIEDEL; NSC 379584; KBio2_002458; o-Isopropoxyphenyl N-methylcarbamate; Brygou; Propoksuru [Polish]; NCGC00094544-03; Phenol, 2-(1-methylethoxy)-, methylcarbamate; Sendran; AI3-25671; DivK1c_006650; 114-26-1; Spectrum4_000697; KBio2_005026; 2-(1-methylethoxy)phenyl methylcarbamate; Baygone; Bolfo; EINECS 204-043-8; KBioGR_001193; 2-Isopropoxyphenyl-N-methylcarbamat [German]; Tugon fliegenkugel; KBio3_001973; Aprocarb; 2-(propan-2-yloxy)phenyl methylcarbamate; NCGC00094544-01; PHC (carbamate); o-Isopropoxyphenyl methylcarbamate; 2-(1-Methylethoxy)phenol methylcarbamate; BRN 1879891; Bayer 39007; BAY 39007; 2-Isopropoxyphenyl-N-methylcarbamate; PROPOXUR; Isocarb; Propyon; Unden 50PM; Bifex; Phenol, o-isopropoxy-, methylcarbamate; Spectrum5_002032; Rhoden; Suncide; Propoxur [BAN]; Dalf dust; Boruho; Bayer B 5122; N-methylcarbamic acid (2-isopropoxyphenyl) ester; Spectrum_001923; SPECTRUM330066; 2-[(1-methylethyl)oxy]phenyl methylcarbamate |
C11H15NO3 |
209.24 |
CC(C)OC1=CC=CC=C1OC(=O)NC |
|
TCMBANKIN029859 |
cornin_qt |
verbenalin_qt |
C17H24O10 |
388.37 |
|
|
TCMBANKIN029891 |
methyl 4-[2-formyl-5-(methoxymethyl)pyrrol-1-yl]butanoate |
4-[2-formyl-5-(methoxymethyl)pyrrol-1-yl]butyric acid methyl ester; methyl 4-[2-methanoyl-5-(methoxymethyl)pyrrol-1-yl]butanoate; 4-[2-formyl-5-(methoxymethyl)-1-pyrrolyl]butanoic acid methyl ester |
|
239.3 |
|
|
TCMBANKIN030797 |
Dunnisinin |
dunnisinin |
C11H14O5 |
226.23 g/mol |
COC(=O)C1COC2C3C1C=CC3(CO2)O |
|
TCMBANKIN031058 |
paeonin,a_qt |
|
|
210.25 |
|
|
TCMBANKIN031306 |
kainic acid |
alpha- Kainic acid; K0250_SIGMA; Kainic acid monohydrate; (2S,3S,4S)-3-(carboxymethyl)-4-(prop-1-en-2-yl)pyrrolidine-2-carboxylic acid hydrate; SCHEMBL6081964; (2S,3S,4S)-3-(carboxymethyl)-4-prop-1-en-2-ylpyrrolidine-2-carboxylic acid; InChI=1/C10H15NO4/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13/h6-7,9,11H,1,3-4H2,2H3,(H,12,13)(H,14,15)/t6-,7+,9-/m0/s; L-proline, 3-(carboxymethyl)-4-(1-methylethenyl)-, (3S,4S)-; UPCMLD-DP146:001; D02546; Kainic acid hydrate; C12819; I519JC63XY; MLS001074661; NCGC00024504-05; 4-22-00-01523 (Beilstein Handbook Reference); rel-(3R,4R)-3-(carboxymethyl)-4-isopropenyl-D-proline; NSC136038; EU-0100656; (2S,3S,4R)-Carboxy-4-(1-methylethenyl)-3-pyrrolidineacetic Acid; NCGC00024504-03; Kainic acid [INN:JAN]; DTXSID50206732; 3-Pyrrolidineacetic acid, 2-carboxy-4-(1-methylethenyl)-, monohydrate, (2S-(2alpha,3beta,4beta))-; KAINIC ACID 2-CARBOXY-3-CARBOXYMETHYL-4-ISOPROPENYLPYRROLIDINE; (-)-Kainic acid hydrate; (2S,3S,4S)-3-(carboxymethyl)-4-isopropenyl-2-pyrrolidinecarboxylic acid; 2-Carboxy-3-carboxymethyl-4-isopropenylpyrrolidine; SC-66129; 2-Carboxy-4-isopropenyl-3-pyrrolidineacetic acid; SR-01000075454-9; (2S,3S,4S)-3-(carboxymethyl)-4-prop-1-en-2-yl-pyrrolidine-2-carboxylic acid; BRN 0086660; NSC 136038; 3-Pyrrolidineacetic acid, 2-carboxy-4-isopropenyl-; Lopac0_000656; Acide kainique [INN-French]; MolPort-009-018-775; 58002-62-3; L-alpha-Kainic acid; Kainic acid monohydrate, >=98% (HPLC), from Digenea simplex; 3-Pyrrolidineacetic acid, 2-carboxy-4-(1-methylethenyl)-, hydrate (1:1), (2S,3S,4S)-; nchembio881-comp3; Digenin; HMS3649I10; 3-Pyrrolidineacetic acid, 2-carboxy-4-(1-methylethenyl)-, (2S-(2-alpha,3-beta,4-beta))- (9CI); Digenic acid; NCGC00024504-06; UPCMLD-DP146:002; Acido kainico [INN-Spanish]; BPBio1_001306; C10H15NO4.H2O; Kainic acid hydrate [JAN]; (2S,3S,4S)-3-(carboxymethyl)-4-isopropenyl-proline; 487-79-6; Kainic acid monohydrate, >=99% (TLC); (2S,3S,4S)-3-(carboxymethyl)-4-isopropenyl-pyrrolidine-2-carboxylic acid; 1810AH; Kainate; SMR000471885; Kainic Acid, Natural; UNII-I519JC63XY; 2-Carboxy-4-(1-methylethenyl)-3-pyrrolidineacetic Acid; Acidum kainicum [INN-Latin]; Kainic acid hydrate (JP17); 3-Pyrrolidineacetic acid, 2-carboxy-4-(1-methylethenyl)-, (2S-(2alpha,3beta,4beta))-; KAINIC ACID; Digenin (TN); (2S,3S,4S)-3-(Carboxymethyl)-4-(prop-1-en-2-yl)pyrrolidine-2-carboxylic acid; Helminal; Biomol-NT_000217 |
C10H15NO4 |
213.23 |
CC(=C)C1CNC(C1CC(=O)O)C(=O)O |
|
TCMBANKIN031612 |
Harpagide 7-acetate_qt |
8-O-acetylharpagide_qt |
C17H26O11 |
406.38 |
|
|
TCMBANKIN031882 |
plantarenaloside_qt |
|
|
198.24 |
|
|
TCMBANKIN032028 |
sugeonyl acetate |
|
C17H24O3 |
276.4 g/mol |
CC1CCC2C(C3=C(C(=O)CC13C2(C)C)C)OC(=O)C |
|
TCMBANKIN032286 |
Magnograndiolide |
magnograndiolide; (3aS,6R,6aR,9R,9aS,9bS)-6,9-dihydroxy-6,9-dimethyl-3-methylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[5,4-d]furan-2-one; SCHEMBL18334098; CHEMBL2206436; (3as,6r,6ar,9r,9as,9bs)-6,9-dihydroxy-6,9-dimethyl-3-methylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[5,4-d]furan-2-one; (3aS,6R,6aR,9R,9aS,9bS)-6,9-dihydroxy-6,9-dimethyl-3-methylene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[5,4-d]furan-2-one; 92618-98-9; AC1NSXRC; (3aS,6R,6aR,9R,9aS,9bS)-6,9-dihydroxy-6,9-dimethyl-3-methylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one |
C15H22O4 |
266.33 |
CC1(CCC2C(C3C1CCC3(C)O)OC(=O)C2=C)O |
|
TCMBANKIN032355 |
2-[(2S,5S,6S)-6,10-dimethylspiro[4.5]dec-9-en-2-yl]propan-2-ol |
2-[(2S,5S,6S)-6,10-dimethyl-2-spiro[4.5]dec-9-enyl]propan-2-ol |
C15H26O |
222.37 |
|
|
TCMBANKIN032706 |
picriside B_qt |
|
C54H94N22O16 |
1307.46 |
|
|
TCMBANKIN032711 |
Illudins I |
|
|
250.37 |
|
|
TCMBANKIN032712 |
(6R,7aS)-3,6-dimethyl-5,6,7,7a-tetrahydro-4H-benzofuran-2-one |
2(4H)-benzofuranone, 5,6,7,7a-tetrahydro-3,6-dimethyl-, (6R,7aS)-; InChI=1/C10H14O2/c1-6-3-4-8-7(2)10(11)12-9(8)5-6/h6,9H,3-5H2,1-2H3/t6-,9+/m1/s; (6R,7aS)-3,6-dimethyl-5,6,7,7a-tetrahydro-1-benzofuran-2(4H)-one; (6R,7aS)-3,6-dimethyl-5,6,7,7a-tetrahydro-4H-1-benzofuran-2-one |
C10H14O2 |
166.22 |
CC1CCC2=C(C(=O)OC2C1)C |
|
TCMBANKIN032963 |
dihydrocostus lactone |
dihydrocostuslactone |
|
234.37 |
|
|
TCMBANKIN033541 |
Istanbulin-A |
35481-83-5; (4aS,5R,8aR,9aS)-9a-hydroxy-3,4a,5-trimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1]benzoxole-2,8-dione; Naphtho(2,3-b)furan-2,8(4H,5H)-dione, 4a,6,7,8a,9,9a-hexahydro-9a-hydroxy-3,4a,5-trimethyl-, (4aS-(4aalpha,5alpha,8abeta,9abeta))-; Istanbulin A; (4aS,5R,8aR,9aS)-9a-hydroxy-3,4a,5-trimethyl-4,5,6,7,8a,9-hexahydrobenzo[f]benzofuran-2,8-quinone; (4aS,5R,8aR,9aS)-9a-hydroxy-3,4a,5-trimethyl-4,5,6,7,8a,9-hexahydrobenzo[f]benzofuran-2,8-dione |
C15H20O4 |
264.32 |
CC1CCC(=O)C2C1(CC3=C(C(=O)OC3(C2)O)C)C |
|
TCMBANKIN033678 |
caffeine |
NCGC00015208-02; DHCplus; KBio2_001781; W222402_ALDRICH; NINDS_000730; EINECS 200-362-1; Spectrum5_000423; BSPBio_001921; KBio1_000730; ACon1_000085; Probes1_000150; Quick-Pep; D00528; AIDS001649; WLN: T56 BN DN FNVNVJ B1 F1 H1; 1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione; SK 65 Compound; NCGC00090699-07; KBio2_006917; Stim; Caffeina [Italian]; 1,3,7-trimethylpurine-2,6-dione; PDSP2_001219; C7731_SIAL; KBioSS_001781; Caffein; Miudol; Nix Nap; nchembio774-comp2; Nodaca; Caffeine (natural); Cafeina; CFF; Caffeine solution; 7-methyltheophylline; 3,7-Dihydro-1,3,7-trimethyl-1H-purin-2,6-dion (coffein); Bio1_000962; TNP00310; 75035_FLUKA; 1,3,7-Trimethyl-2,6-dioxopurine; NCGC00090699-08; Caffeine, anhydrous; Koffein [German]; C1778_SIAL; Dexitac; 3,7-dihydro-1,3,7-trimethyl-1H-purine; 3,7-Dihydro-1,3,7-trimethyl-1H-purine-2,6-dione; Durvitan; PDSP2_001000; MLS001066409; Eldiatric C; SPECTRUM1500155; cafeine; Koffein; NCIOpen2_008255; BRN 0017705; 71701-02-5; C8960_SIAL; Bio1_001451; MLS001056714; Caffeine (USP); caffenium; SPBio_001222; 27602_FLUKA; 95789-13-2; Spectrum3_000321; Cafecon; Thein; NCGC00015208-01; Coffeinum; 1-methyltheobromine; Mettler Toledo Calibration substance ME 18872, Caffeine; Kofein [Czech]; NSC 5036; Spectrum_001301; NCGC00090699-04; Bayer Select Headache Pain; Theine; Guaranine; KBio3_001141; NSC5036; 1,3,7-trimethyl-2,6-dioxo-1,2,3,6-tetrahydropurine; Spectrum2_001261; EU-0100228; Probes2_000128; MEGxp0_001350; Anhydrous caffeine (TN); 1,3,7-Trimethylxanthine; 58-08-2; Caffedrine; C07481; No-Doz; PDSP1_001016; 3,7-Dihydro-1,3,7-trimethyl-1H-purin-2,6-dion; InChI=1/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H; Phensal; Refresh'n; KBio2_004349; AIDS-001649; Tri-Aqua; Lopac0_000228; ZINC00001084; teina; Methyltheobromine; IDI1_000730; Caffeine, synthetic; 5-26-13-00558 (Beilstein); LS-187843; Theophylline Me; 5-26-13-00558 (Beilstein Handbook Reference); Coffein [German]; C6035_SIGMA; HSDB 36; DivK1c_000730; SDCCGMLS-0064595.P001; KBioGR_002325; NCI-C02733; SBB006474; Spectrum4_001782; Coffeine; Anhydrous caffeine; SMR000326667; 1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-; Theobromine, 1-methyl-; Theophylline, 7-methyl; MolMap_000054; NCGC00090699-01; Theobromine Me; LS-237; Cafamil; Cafipel; c1094; AI3-20154; SDCCGMLS-0064595.P002; Xanthine, 1,3,7-trimethyl; Bio1_000473; Mateina; Methylxanthine theophylline; FEMA No. 2224; CHEBI:27732; Tirend; component of P-A-C Compound; Caffeine; Organex; NCGC00090699-03; component of Cafergot; CCRIS 1314; Methyltheobromide; Lopac-C-0750; 3,7-dihydro-1,3,7-trimethyl-1H-purine (9CI); Alert-Pep; C0750_SIAL; PDSP1_001235; Anhydrous caffeine (JP15); Vivarin; Caffeine [BAN:JAN]; Coffein; Caffine |
C8H10N4O2 |
194.19 |
CN1C=NC2=C1C(=O)N(C(=O)N2C)C |
|
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 |
|
TCMBANKIN034346 |
Nemerol |
Pethidineter; Pipersal; Isonipecotic acid, 1-methyl-4-phenyl-, ethyl ester; 4-Carbethoxy-1-methyl-4-phenylpiperidine; NINDS_000983; Petydyna [Polish]; IDI1_000983; 4-Piperidinecarboxylic acid, 1-methyl-4-phenyl-, ethyl ester; Petidina [INN-Spanish]; 1-Methyl-4-phenyl-piperidin-4-carbon-saeure-aethylester [German]; 1-Methyl-4-phenylisonipecotic acid, ethyl ester; Phetidine; HSDB 3116; Pethanol; 1-methyl-4-phenyl-isonipecotic acid ethyl ester; YIsonipecotic acid, 1-methyl-4-phenyl-, ethyl ester (8CI); 610593_ALDRICH; 1-Methyl-4-phenylpiperidine-4-carboxylic acid ethyl ester; ethyl 1-methyl-4-phenyl-piperidine-4-carboxylate; Methyl phenylpiperidine carbonic acid ethyl ester; N-Methyl-4-phenyl-4-carbethoxypiperidine; DivK1c_000983; C07128; DEA No. 9230; Meperidine; Ethyl 1-methyl-4-phenylisonipecotate; EINECS 200-329-1; Pethidinum [INN-Latin]; Pethidin; Isonipecaine; Meperidine solution; Ethyl 1-methyl-4-phenylpiperidine-4-carboxylate; KBio1_000983; Meperidol; Pethidine; 1-Methyl-4-phenyl-4-piperidinecarboxylic acid ethyl ester; 57-42-1 |
C15H21NO2 |
247.33 |
CCOC(=O)C1(CCN(CC1)C)C2=CC=CC=C2 |
|
TCMBANKIN034730 |
6-O-methylcatalpol_qt |
6-O-Methyl catalpol_qt |
|
214.24 |
|
|
TCMBANKIN035509 |
trans-Pinocarveyl acetate |
EINECS 254-628-7; 39776-85-7; Bicyclo(3.1.1)heptan-3-ol, 6,6-dimethyl-2-methylene-, acetate, (1R,3R,5R)-; [(1R,3R,5R)-7,7-dimethyl-4-methylidene-3-bicyclo[3.1.1]heptanyl] ethanoate; Bicyclo(3.1.1)heptan-3-ol, 6,6-dimethyl-2-methylene-, acetate, (1theta-(1alpha,3beta,5alpha))-; [(1R,3R,5R)-7,7-dimethyl-4-methylidene-3-bicyclo[3.1.1]heptanyl] acetate; acetic acid [(1R,3R,5R)-6,6-dimethyl-2-methylene-norpinan-3-yl] ester; [(1R,3R,5R)-6,6-dimethyl-2-methylene-norpinan-3-yl] acetate; (1R-(1alpha,3beta,5alpha))-6,6-Dimethyl-2-methylenebicyclo(3.1.1)hept-3-yl acetate; acetic acid [(1R,3R,5R)-6,6-dimethyl-2-methylene-3-norpinanyl] ester |
C12H18O2 |
194.27 |
CC(=O)OC1CC2CC(C1=C)C2(C)C |
|
TCMBANKIN035537 |
mansumbin-13(17)-en- 3,16-dione |
|
|
328.54 |
|
|
TCMBANKIN035766 |
ACETIC ACID,BORNYL ESTER |
ZINC00404304; acetic acid [(1R,2R,4R)-1,7,7-trimethyl-2-norbornanyl] ester; [(1R,4R,6R)-1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl] acetate; bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate; [(1R,2R,4R)-1,7,7-trimethylnorbornan-2-yl] acetate; [(1R,4R,6R)-1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl] ethanoate; InChI=1/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H |
C12H20O2 |
196.29 |
|
|
TCMBANKIN036097 |
Homoarecoline |
5497-43-8; BRN 0125290; 28125-84-0; 1-methyl-5,6-dihydro-2H-pyridine-3-carboxylic acid ethyl ester; NICOTINIC ACID, 1,2,5,6-TETRAHYDRO-1-METHYL-, ETHYL ESTER; Arecaidine-ethyl ester; Ethyl 1-methyl-1,2,5,6-tetrahydronicotinate; homoarecoline; ethyl 1-methyl-5,6-dihydro-2H-pyridine-3-carboxylate |
C9H15NO2 |
169.22 |
CCOC(=O)C1=CCCN(C1)C |
|
TCMBANKIN036752 |
ketologanin_qt |
|
C17H24O10 |
388.37 |
|
|
TCMBANKIN036784 |
Balchanin |
4290-13-5; 6895-45-0; Eudesma-3,11(13)-dien-12-oic acid, 1beta,6alpha-dihydroxy-, gamma-lactone; Santamarin; 11016-81-2; AIDS104092; Naphtho(1,2-b)furan-2(3H)-one, 3a,4,5,5a,6,7,9a,9b-octahydro-6-hydroxy-5a,9-dimethyl-3-methylene-, (3aS,5aR,6R,9aS,9bS)-; (3aS,5aR,6R,9aS,9bS)-6-hydroxy-5a,9-dimethyl-3-methylene-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g]benzofuran-2-one; Santamarine; Naphtho(1,2-b)furan-2(3H)-one, 3a,4,5,5a,6,7,9a,9b-octahydro-6-hydroxy-5a,9-dimethyl-3-methylene-, (3aS-(3aalpha,5abeta,6beta,9aalpha,9bbeta))-; AIDS-104092; C09544; Naphthol]1,2-b]furan-2(3H)-one,3a,4,5,5a,6,7,9a,9b-octahydro-6-hydroxy-5a,9-dimethyl-3-methylene; (3aS,5aR,6R,9aS,9bS)-6-hydroxy-5a,9-dimethyl-3-methylidene-4,5,6,7,9a,9b-hexahydro-3aH-naphtho[3,4-d]furan-2-one |
C15H20O3 |
248.32 |
CC1=CCC(C2(C1C3C(CC2)C(=C)C(=O)O3)C)O |
|
TCMBANKIN036833 |
Bicuculline |
Prestwick3_000589; IDI1_000609; Biomol-NT_000252; C09364; Bicuculline (+); BPBio1_000482; 4-27-00-06900 (Beilstein Handbook Reference); KBio2_005897; SPBio_002657; Bicculine; SPBio_000933; AC1Q6H29; 485-49-4; Furo(3,4-e)-1,3-benzodioxol-8(6H)-one, 6-(5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-, (R-(R*,S*))-; KBio2_000761; BRD-A09495397-001-01-9; 14340_FLUKA; BPBio1_000794; NSC32192; (6R)-6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6H-furo[4,3-g][1,3]benzodioxol-8-one; KBio2_003329; d-Bicuculline; 10-[(5S)-6-METHYL-2H,5H,7H,8H-[1,3]DIOXOLO[4,5-G]ISOQUINOLIN-5-YL]-3,5,11-TRIOXATRICYCLO[7.3.0.0(2),?]DODECA-1,6,8-TRIEN-12-ONE; DivK1c_000609; CCG-40040; ()-Bicuculline; Lopac0_000234; WLN: T C566 DO FO KN EH&&TJ K1 J- ET B565 CVO JO LO EH KHJ; Bicuculline; Prestwick2_000589; Spectrum2_000717; Bicucullin; 6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6H-furo[3,4-g][1,3]benzodioxol-8-one; AC1O8JS3; EINECS 207-619-7; ST057559; KBioGR_001740; NINDS_000609; BRN 0098786; BSPBio_000438; Furo[3,4-e]-1,3-benzodioxol-8(6H)-one, 6-(5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)-, [R-(R*,S*)]-; Spectrum4_001240; KBioSS_000761; CHEBI:93802; Prestwick_96; KBio1_000609; Spectrum_000281; (+)-Bicuculline; PDSP2_000138; NSC 32192; Prestwick0_000589; Prestwick1_000589 |
|
367.35 |
|
|
TCMBANKIN036876 |
genipin |
(1R,4aS,7aS)-1-hydroxy-7-methylol-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylic acid methyl ester; C09780; methyl (1R,4aS,7aS)-1-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylate; SCHEMBL13526030; (1R,4aS,7aS)-1-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylic acid methyl ester; 6902-77-8; Genipin; SMR001397100; HMS2213D09; CHEMBL1317787; MLS002472994 |
C12H16O4 |
224.253 |
[C@]12([H])[C@]([H])(C(C([H])([H])O[H])=C([H])C1([H])[H])[C@]([H])(O[H])C([H])([H])C([H])=C2C(OC([H])([H])[H])=O |
|
TCMBANKIN037169 |
Oxyphyllol A |
7-Isopropenyl-1,4a-dimethyl-1,2,3,4,4a,5,6,7-octahydro-naphthalen-1-ol; 1-naphthalenol, 1,2,3,4,4a,5,6,7-octahydro-1,4a-dimethyl-7-(1-methylethenyl)-, (1R,4aR,7R)-; (1R,4aR,7R)-1,4a-dimethyl-7-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-ol; oxyphyllol a; (1R,4aR,7R)-7-isopropenyl-1,4a-dimethyl-2,3,4,5,6,7-hexahydronaphthalen-1-ol; InChI=1/C15H24O/c1-11(2)12-6-9-14(3)7-5-8-15(4,16)13(14)10-12/h10,12,16H,1,5-9H2,2-4H3/t12-,14-,15-/m1/s; rel-(1R,4aR,7R)-7-isopropenyl-1,4a-dimethyl-1,2,3,4,4a,5,6,7-octahydronaphthalen-1-ol |
C30H39Cl2N5O4S2 |
668.7 |
CC(=C)C1CCC2(CCCC(C2=C1)(C)O)C |
|
TCMBANKIN037525 |
Angeloylgomisin H |
angeloylgomisin h; angeloyl gomisin h |
C28H36O8 |
501 |
C([H])([H])([H])\C([H])=C(\C(=O)Oc1c2c(C([H])([H])[C@@](C([H])([H])[H])([H])[C@@](C([H])([H])[H])(O[H])C([H])([H])c(c([H])c(OC([H])([H])[H])c(OC([H])([H])[H])c3OC([H])([H])[H])c23)c([H])c(OC([H])([H])
[H])c1OC([H])([H])[H])/C([H])([H])[H] |
|
TCMBANKIN037560 |
iso-preleoheterin |
|
C20H30O4 |
334.4 g/mol |
CC1C(=O)C(C2C(CCCC2(C13CCC4(O3)COC=C4)C)(C)C)O |
|
TCMBANKIN037619 |
Cyperolone |
SCHEMBL19419895; AC1NSU4M; 1-[(3S,3aR,5R,7aS)-3-hydroxy-5-isopropenyl-7a-methyl-2,3,4,5,6,7-hexahydro-1H-inden-3a-yl]ethanone; CHEBI:80814; cyperolone; DTXSID90415700; 1-[(3S,3aR,5R,7aS)-3-hydroxy-7a-methyl-5-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-inden-3a-yl]ethanone; C16946; 13741-46-3 |
|
236.35 |
|
|
TCMBANKIN037770 |
torachrysone |
1-(1,8-dihydroxy-6-methoxy-3-methylnaphthalen-2-yl)ethan-1-one; 1-(1,8-dihydroxy-6-methoxy-3-methyl-2-naphthyl)ethanone; 1-(1,8-dihydroxy-6-methoxy-3-methylnaphthalen-2-yl)ethanone; C17672; Ethanone,1-(1,8-dihydroxy-6-methoxy-3-methyl-2-naphthalenyl)-; Nakahalene; AKOS032948833; CHEBI:81265; 1-(1,8-dihydroxy-6-methoxy-3-methyl-naphthalen-2-yl)ethanone; CHEMBL2204398; BG01228450; ZINC13307187; Torachrysone; 2-Acetyl-1,8-dihydroxy-6-methoxy-3-methylnaphthalene; 1,8-dihydroxy-6-methoxy-2-acetyl-3-methylnaphthalene; SCHEMBL932035; MolPort-028-599-891; 22649-04-3; N-Nitroso-N-phenyl-Urea; AC1NT11I; CTK8H6905; W2033; 1-Nitroso-1-phenyl-Urea |
C14H14O4 |
246.259 |
c1(C([H])([H])[H])c([H])c(c([H])c(OC([H])([H])[H])c([H])c2O[H])c2c(O[H])c1C(=O)C([H])([H])[H] |
|
TCMBANKIN038080 |
Gentianal |
|
|
193.2 |
|
|
TCMBANKIN038145 |
Ermanthin |
Azuleno[4,5-b]furan-2(3H)-one, 3a,4,6a,7,8,9,9a,9b-octahydro-6-methyl-3,9-bis(methylene)-, [3aS-(3a.alpha.,6a.alpha.,9a.alpha.,9b.beta.)]-; ermanthin; Eremanthin derivative; NSC321215; Eremanthin; NSC 321215; Eremanthine; Azuleno(4,5-b)furan-2(3H)-one, 3a,4,6a,7,8,9,9a,9b-octahydro-6-methyl-3,9-bis(methylene)-, (3aS-(3aalpha,6aalpha,9aalpha,9bbeta))- (9CI); Vanillosmin; (3aS,6aR,9aR,9bS)-6-methyl-3,9-dimethylidene-4,6a,7,8,9a,9b-hexahydro-3aH-azuleno[5,4-d]furan-2-one; 37936-58-6; NCI60_002782; C09406; (3aS,6aR,9aR,9bS)-6-methyl-3,9-dimethylene-4,6a,7,8,9a,9b-hexahydro-3aH-azuleno[5,4-d]furan-2-one |
C15H18O2 |
230.3 |
CC1=CCC2C(C3C1CCC3=C)OC(=O)C2=C |
|
TCMBANKIN038323 |
quinic acid |
Cyclohexanecarboxylicacid, 1,3,4,5-tetrahydroxy-, (1a,3R,4a,5R); SCHEMBL12464756; Kinate; SCHEMBL13577075; 1,3,4,5-Tetrahydroxycyclohexane-carboxylic acid; quinate; quinicacid; Quinic acid; (3R)-1,3,4,5-tetrakis(oxidanyl)cyclohexane-1-carboxylic acid; Chinate; SCHEMBL14960616; (1R,3R,4S)-1,3,4,5-tetrahydroxycyclohexane-1-carboxylic acid; (3R)-1,3,4,5-tetrahydroxy-1-cyclohexanecarboxylic acid; SCHEMBL39555; A839299 |
C7H12O6 |
192.167 |
C1([H])(O[H])[C@@]([H])(O[H])C([H])([H])C(C(O[H])=O)(O[H])C([H])([H])[C@]1([H])O[H] |
|
TCMBANKIN039345 |
LOLIOLIDE |
(6S,7aR)-6-hydroxy-4,4,7a-trimethyl-6,7-dihydro-5H-1-benzofuran-2-one; 1,3-Dihydroxy-3,5,5-trimethylcyclohexylidene-4-acetic acid lactone; (6S,7aR)-6-hydroxy-4,4,7a-trimethyl-6,7-dihydro-5H-benzofuran-2-one; loliolide; 11028-27-6; 2(4H)-Benzofuranone, 5,6,7,7a-tetrahydro-6-hydroxy-4,4,7a-trimethyl-, (6S-cis)-; NSC 289632 |
C11H16O3 |
196.24 |
CC1(CC(CC2(C1=CC(=O)O2)C)O)C |
|
TCMBANKIN039699 |
GA77 |
|
C19H24O6 |
348.4 g/mol |
CC12CCCC3(C1C(C45C3CC(C(C4)(C(=C)C5)O)O)C(=O)O)OC2=O |
|
TCMBANKIN040017 |
stizolamine |
|
C7H11N5O2 |
197.19 |
CN1C(=CN=C(C1=O)N=C(N)N)CO |
|
TCMBANKIN040452 |
Oxyphyllenone B |
oxyphyllenone b |
|
210.27 |
|
|
TCMBANKIN040606 |
GA63 |
|
C19H24O6 |
348.39 |
C1([H])([H])C([H])([H])[C@@](OC2=O)([C@@]3([H])[C@]4(C([H])([H])[C@]([H])(C(=C([H])[H])[C@@]4([H])O[H])C([H])([H])C3([H])[H])[C@@]5([H])C(O[H])=O)[C@@]5([H])[C@@]2(C([H])([H])[H])[C@@]1([H])O[H] |
|
TCMBANKIN040828 |
3-O-tiglate derivative |
|
|
278.38 |
|
|
TCMBANKIN042017 |
suspenolic acid |
suspenolicacid |
C10H14O4 |
198.22 g/mol |
CC(=O)OC1CCC(=CC(=O)O)CC1 |
|
TCMBANKIN042726 |
Isokobusone |
(1S,5R,9R)-5-hydroxy-11,11-dimethyl-4-methylidenebicyclo[7.2.0]undecan-8-one; AC1OF35U |
|
222.32 g/mol |
|
|
TCMBANKIN042874 |
baimuxinal |
CTK3E8697; AC1L360E; 3-(2-hydroxypropan-2-yl)-6-methylspiro[4.5]dec-9-ene-10-carbaldehyde; 86408-21-1; Spiro(4.5)dec-6-ene-6-carboxaldehyde, 2-(1-hydroxy-1-methylethyl)-10-methyl-; 2-(2-HYDROXYPROPAN-2-YL)-10-METHYLSPIRO[4.5]DEC-6-ENE-6-CARBALDEHYDE; Baimuxinal |
C15H24O2 |
236.35 |
CC1CCC=C(C12CCC(C2)C(C)(C)O)C=O |
|
TCMBANKIN043018 |
1 beta,4 beta,7 beta-trihydroxyeudcsmane |
|
C15H28O3 |
256.381 |
C1([H])([H])[C@@]([H])(O[H])[C@](C([H])([H])[H])(C([H])([H])C([H])([H])[C@](O[H])(C([H])(C([H])([H])[H])C([H])([H])[H])C2([H])[H])[C@@]2([H])[C@@](C([H])([H])[H])(O[H])C1([H])[H] |
|
TCMBANKIN043024 |
ivangustin |
|
C15H20O3 |
248.32 |
CC1=C2CC3C(CC2(C(CC1)O)C)OC(=O)C3=C |
|
TCMBANKIN043038 |
Methyl-alpha-D-fructofuranoside |
AC1O3DA5; methyl-alpha-d-fructofuranoside; 53431-77-9; (2S,3S,4S,5R)-2,5-bis(hydroxymethyl)-2-methoxy-tetrahydrofuran-3,4-diol; (2R,3S,4R,5R)-2-ethoxy-2-(hydroxymethyl)oxane-3,4,5-triol; methyl-α-d-fructofuranoside; (2S,3S,4S,5R)-2,5-bis(hydroxymethyl)-2-methoxyoxolane-3,4-diol; ethyl beta-d-fructopyranoside; (2S,3S,4S,5R)-2-methoxy-2,5-dimethylol-tetrahydrofuran-3,4-diol; ethyl beta-fructopyranoside; beta-D-Fructopyranoside, ethyl; (2S,3S,4S,5R)-2,5-bis(hydroxymethyl)-2-methoxytetrahydrofuran-3,4-diol; (2S,3S,4S,5R)-2,5-bis(hydroxymethyl)-2-methoxy-oxolane-3,4-diol |
C7H14O6 |
194.18 |
COC1(C(C(C(O1)CO)O)O)CO |
|
TCMBANKIN043244 |
2,3-didehydro GA70 |
|
C19H22O5 |
330.375 |
C1([H])([H])[C@@](OC2=O)([C@@]3([H])[C@]4(C([H])([H])[C@@](C(=C([H])[H])C4([H])[H])([H])[C@@]([H])(O[H])C3([H])[H])[C@@]5([H])C(O[H])=O)[C@@]5([H])[C@@]2(C([H])([H])[H])C([H])=C1[H] |
|
TCMBANKIN043806 |
neolinderalactone |
|
C15H16O3 |
244.29 |
CC1=CCCC2=CC(C3=C(C1)OC=C3C)OC2=O |
|
TCMBANKIN044294 |
Tuberostemospironine |
|
|
253.29 |
|
|
TCMBANKIN044447 |
Tussilagine |
tussilagine; 91108-33-7; 80151-77-5; C10411; (1S,2S,8S)-2-hydroxy-2-methyl-1,3,5,6,7,8-hexahydropyrrolizine-1-carboxylic acid methyl ester; methyl (1S,2S,8S)-2-hydroxy-2-methyl-1,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate; (1S,2S,8S)-2-hydroxy-2-methyl-pyrrolizidine-1-carboxylic acid methyl ester |
C10H17NO3 |
199.25 |
CC1(CN2CCCC2C1C(=O)OC)O |
|
TCMBANKIN044850 |
Pterosin S |
CHEMBL1864404; HMS2205M21; pterosin s; MLS002473105; 56227-00-0; SMR001397207 |
|
250.29 g/mol |
|
|
TCMBANKIN045507 |
Cnidilide |
3-Butyl-3a,4,5,7a-tetrahydro-1(3H)-isobenzofuranone; (3S,3aS,7aR)-3-butyl-3a,4,5,7a-tetrahydro-3H-isobenzofuran-1-one; AK608287; 3674-03-1; CHEMBL2252753; DTXSID20190194; cnidilide; CTK4H7060; UXDIXFDKSPCUIX-AXFHLTTASA-N; SCHEMBL11967660; (3S,3aS,7aR)-3-butyl-3a,4,5,7a-tetrahydro-3H-2-benzofuran-1-one; 1(3H)-Isobenzofuranone, 3-butyl-3a,4,5,7a-tetrahydro-, (3S-(3alpha,3abeta,7abeta))-; (3s,3as,7ar)-3-butyl-3a,4,5,7a-tetrahydro-2-benzofuran-1(3h)-one; C16937; AC1Q6H2P; 3674/3/1; AKOS030573565; CHEBI:80808; AC1L4O3X |
C12H18O2 |
194.27 g/mol |
CCCCC1C2CCC=CC2C(=O)O1 |
|
TCMBANKIN045722 |
isofraxinellone |
|
C14H20O3 |
236.307 |
C1([H])([H])C([H])([H])[C@@](C([H])([H])[H])([C@]([H])([C@@]2([H])C([H])([H])C([H])([H])OC2([H])[H])OC3=O)[C@]3([H])C(C([H])([H])[H])=C1[H] |
|
TCMBANKIN046190 |
agarospirol |
AC1L6CVK; ICWHTQRTTHCUHW-UHFFFAOYSA-N; 2-(6,10-Dimethylspiro[4.5]dec-6-en-2-yl)-2-propanol; 23811-08-7; NSC-152472; NSC152472; Agaruspirol; AC1Q76LW; CTK5A9809; 59331-07-6; 2-(6,10-dimethylspiro[4.5]dec-9-en-3-yl)propan-2-ol; Hinesol; 2-(6,10-Dimethylspiro[4.5]dec-6-en-2-yl)-2-propanol #; 2-{6,10-DIMETHYLSPIRO[4.5]DEC-6-EN-2-YL}PROPAN-2-OL |
C15H26O |
222.37 |
CC1CCC=C(C12CCC(C2)C(C)(C)O)C |
|
TCMBANKIN046316 |
Senkyunolide D |
senkyunolide D; senkyunolide-D; senkyunolide d |
|
222.237 |
|
|
TCMBANKIN046880 |
Senkyunolide J |
senkyunolide j; senkyunolide-J |
|
226.269 |
|
|
TCMBANKIN047693 |
Acoramone |
2-Propanone, 1-(2,4,5-trimethoxyphenyl)-; 1-(2,4,5-trimethoxyphenyl)acetone; 2020-90-8; 1-(2,4,5-trimethoxyphenyl)propan-2-one; acoramone |
C12H16O4 |
224.25 |
CC(=O)CC1=CC(=C(C=C1OC)OC)OC |
|
TCMBANKIN048128 |
homalomenol |
|
C15H26O2 |
238.366 |
C1([H])([H])[C@@]([H])(O[H])[C@](C([H])([H])[H])(C([H])([H])C([H])([H])[C@]2([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])[C@@]2([H])[C@@](C([H])([H])[H])(O[H])C1([H])[H] |
|
TCMBANKIN048141 |
Dihydro-4-hydroxy-5-hydroxymethyl-2(3H)-furanone |
dihydro-4-hydroxy-5-hydroxymethyl-2(3h)-furanone |
C5H8O4 |
132.115 |
C1([H])([H])C(=O)O[C@]([H])(C([H])([H])O[H])[C@@]1([H])O[H] |
|
TCMBANKIN048218 |
fraxetin |
ZINC00113309; NCGC00096046-01; AIDS224554; SCHEMBL43472; ST24045548; KBio3_002724; BSPBio_003224; SMR000112323; V1540; Coumarin, 7,8-dihydroxy-6-methoxy; AJ-11417; UNII-CD3GD44O3K; CD3GD44O3K; C09265; 7,8-Dihydroxy-6-methoxy-2H-chromen-2-one; Spectrum_001507; STOCK1N-06249; 7,8-dihydroxy-6-methoxy-2-chromenone; CTK8E5461; MCULE-2693568829; AC1NRV6E; InChI=1/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H; 7,8-Dihydroxy-6-methoxy-chromen-2-one; MFCD00006873; AKOS000277991; Spectrum4_001686; CHEBI:5169; 7,8-Dihydroxy-6-methoxy-2-benzopyrone; 574-84-5; N1765; KSC-11-207-12; 7,8-dihydroxy-6-methoxychromen-2-one; Fraxetin; 7,8-Dihydroxy-6-methoxycoumarin, 98%; CC-23048; SR-05000002449-1; NCGC00169075-01; BG01517128; 254916_ALDRICH; 7,8-Dihydroxy-6-methoxy-2H-chromen-2-one #; ZINC113309; I14-19210; SR-05000002449; ZB003792; ACon0_001071; AX8110148; Q-100662; EINECS 209-376-2; Spectrum3_001842; MLS002207123; AK114503; KBio2_007123; NCGC00096046-02; KBio2_004555; SpecPlus_000477; 7,8-dihydroxy-6-methoxy-chromen-2-one; ST024715; KBio2_001987; KBio1_001517; CCG-38759; NCGC00017270-03; Spectrum2_001639; 2H-1-Benzopyran-2-one, 7,8-dihydroxy-6-methoxy-; ACon1_000442; SC-65962; AN-46013; BG00604311; Spectrum5_000332; Oprea1_735469; KBioSS_001987; MolPort-001-683-945; KBioGR_001952; 574F845; 7,8-dihydroxy-6-methoxy-coumarin; NCGC00169075-02; KUC106681N; SPECTRUM1504069; SPBio_001737; DB-050316; TR-020064; AC1Q4F2E; DTXSID00205992; NCGC00017270-05; CHEMBL54909; BDBM50206215; C-30832; DivK1c_006573; AIDS-224554; Fraxetin, analytical standard; FT-0632418; 4CN-1003; NCGC00017270-02; BRD-K76587808-001-03-8; MEGxp0_000506; NCGC00017270-01; TNP00177; HAVWRBANWNTOJX-UHFFFAOYSA-N; 7,8-Dihydroxy-6-methoxycoumarin; NCGC00017270-04; Coumarin, 7,8-dihydroxy-6-methoxy-; KB-249406 |
C10H8O5 |
208.168 |
c1(OC([H])([H])[H])c([H])c(C([H])=C([H])C(=O)O2)c2c(O[H])c1O[H] |
|
TCMBANKIN049251 |
nardosinone |
NSC133568; AC1L5TPP; 1,1,9,9a-tetramethyl-3a,4,7,8,9,9b-hexahydronaphtho[2,1-c]dioxol-5-one; CTK7H3177; NSC-133568; nardosinone; 1,1,9,9a-tetramethyl-1,3a,4,7,8,9,9a,9b-octahydro-5h-naphtho[2,1-c][1,2]dioxol-5-one |
C15H22O3 |
250.333 |
C1([H])([H])C([H])=C(C(=O)C([H])([H])[C@@]([H])(OOC2(C([H])([H])[H])C([H])([H])[H])[C@@]23[H])[C@]3(C([H])([H])[H])[C@]([H])(C([H])([H])[H])C1([H])[H] |
|
TCMBANKIN057911 |
se |
selenium |
H2Se |
78.97 g/mol |
[Se] |
|
TCMBANKIN057919 |
2(R)-(3,4-dimethoxy-phenyl)-propanel,3-diol-l-O-β-D-glucopyranoside |
formic acid;fatty acids;FMT;saturated fatty acids;formicacid; methanol peroxide; Dioxirane-3-ol;251364_SIAL; 64-18-6; 27001_RIEDEL; HCOOH; Kyselina mravenci [Czech]; methoic acid; 06473_FLUKA; Spirit of formic acid; Formira; CBX; RCRA waste no. U123; Formylic acid; Methanoic acid; 09676_FLUKA; Formic acid (natural); C1 acid; CCRIS 6039; 49897_FLUKA; 7056-83-9; Kwas metaniowy [Polish]; Bilorin; Myrmicyl; RCRA waste number U123; Ameisensaeure [German]; F0507_SIAL; Collo-didax; EINECS 200-579-1; UN1779; C00058; Add-F; InChI=1/CH2O2/c2-1-3/h1H,(H,2,3; 33015_RIEDEL; 82069-14-5; H-COOH; Collo-bueglatt; LMFA01010040; 94318_FLUKA; AI3-24237; Wonderbond Hardener M 600L; HSDB 1646; Mierenzuur [Dutch]; formic acid; 06450_FLUKA; Sybest; Formic acid solution; FEMA No. 2487; Formisoton; CHEBI:30751; Ameisensaeure; 399388_SIAL; ST5214364; 8006-93-7; Ameisensaure; Formate standard for IC; CARBOXY GROUP; LS-1540; Methanoic acid monomer; Formic acid [UN1779] [Corrosive]; W248703_ALDRICH; Acide formique [French]; Aminic acid; Acido formico [Italian]; 06460_FLUKA; 15907-03-6; Hydrogen carboxylic acid; EPA Pesticide Chemical Code 214900; 56302_FLUKA |
HCOOH or CH2O2 |
46.025 g/mol;46.03 |
C(=O)O |
|
TCMBANKIN058094 |
5-HMF |
5-(Hydroxymethyl)-2-furancarboxaldehyde; 5-18-01-00130 (Beilstein Handbook Reference); 2-Furancarboxaldehyde, 5-(hydroxymethyl)-; 2-Hydroxymethyl-5-furfural; BRN 0110889; 5-(Hydroxymethyl)-2-furancarbonal; CCRIS 3160; CBiol_000485; 67-47-0; NSC40738; SBB004259; 2-Furaldehyde, 5-(hydroxymethyl)-; 5-(Hydroxymethyl)-2-furaldehyde; 5-(hydroxymethyl)furan-2-carbaldehyde; Hydroxymethylfurfurole; 5-Hydroxymethylfurfural; 5-Hydroxymethylfuraldehyde; C11101; 5-(Hydroxymethyl)furfural; 5-Oxymethylfurfurole; InChI=1/C6H6O3/c7-3-5-1-2-6(4-8)9-5/h1-3,8H,4H; EINECS 200-654-9; W501808_ALDRICH; Hydroxymethylfurfuralaldehyde; 5-(Hydroxymethyl)-2-furfuraldehyde; ICCB3_000133; H40807_ALDRICH; Hydroxymethylfurfural; 5-Hydroxymethyl-2-furancarboxaldehyde; NCGC00091513-01; 55690_FLUKA; 5-Hydroxymethyl furaldehyde; 5-(Hyddroxymethyl)furfurole; 5-Hydroxymethyl-2-furaldehyde; 5-(Hydroxymethyl)-2-furfural; NSC 40738; 76330-16-0; Hydroxymethylfurfuraldehyde; 5-Hydroxymethyl-2-formylfuran; ZINC00900788; 5-Hydroxymethylfuran-2-aldehyde; 5-methylolfurfural; 5-hydroxymethylfuraldehyde; 5-hydroxymethyl furfural; 5-hydroxy methyl furfural; 5-hydroxymethylfurfural; 2-Furancarboxaldehyde,5-(hydroxymethyl); 5-hydroxymethyl furaldehyde; 5-hydroxymethyl-2-furfural; 5-(hydroxymethyl)-2-furfural; 5- hydroxymethylfurfural; 2-Furancarboxaldehyde , 5-(hydroxymethyl) |
C6H6O3 |
126.11 g/mol |
C1=C(OC(=C1)C=O)CO |
|
TCMBANKIN058096 |
chelidonicacid |
AC1NF5P1; 4-oxopyran-2,6-dicarboxylate; I04-10436; CJ-00939; chelidonate; ZB004336; chelidonic acid;Jerva acid;5-18-08-00646 (Beilstein Handbook Reference); AI3-19253; Chelidonic acid; 382272_ALDRICH; 4-Oxo-1,4-pyran-2,6-dicarboxylic acid; TimTec1_001281; gamma-Pyrone-2,6-dicarboxylic acid; SBB000242; Compound xi*; 99-32-1; Compound XI* (Cherry and Hageman); Jervaic acid; NSC3979; 22500_FLUKA; EINECS 202-749-0; C08476; BRN 0163607; 4H-Pyran-2,6-dicarboxylic acid, 4-oxo-; Jervasic acid; .gamma.-Pyrone-2,6-dicarboxylic acid; 4-ketopyran-2,6-dicarboxylic acid; 2,6-Dicarboxyl-4-pyrone; 4-oxopyran-2,6-dicarboxylic acid; 4-Oxo-4H-pyran-2,6-dicarboxylic acid; WLN: T6O DVJ BVQ FVQ; AIDS009896; NSC 3979; AIDS-009896 |
C7H4O6 |
184.1 g/mol |
C1=C(OC(=CC1=O)C(=O)O)C(=O)O |
|
TCMBANKIN058163 |
hydroxytyrosol |
AIDS470832; 10597-60-1; beta-3,4-Dihydroxyphenylethyl alcohol; 4-(2-hydroxyethyl)pyrocatechol; 1,2-Benzenediol, 4-(2-hydroxyethyl)-; 3,4-Dihydroxyphenylethanol; 2-(3,4-Dihydroxyphenyl)ethanol; dopet; AIDS-470832; 4-(2-hydroxyethyl)benzene-1,2-diol; Hydroxytyrosol; ST5437419; 3,4-dihydroxyphenethyl alcohol; 3,4-dihydroxyphenylethanol |
C8H10O3 |
154.16 g/mol |
C1=CC(=C(C=C1CCO)O)O |
|
TCMBANKIN058461 |
URC |
Uric acid (8CI); U2625_SIGMA; NSC 3975; 7H-purine-2,6,8-triol; AI3-15432; 1H-Purine-2,6,8(3H)-trione, 7,9-dihydro- (9CI); nchembio768-comp1; 1H-Purine-2,6,8-triol; ST5298833; 69-93-2; 34318-07-5; trioxopurine; 42911-25-1; Lithic acid; CHEBI:46814; purine-2,6,8-(1H,3H,9H)-trione; C00366; 7,9-Dihydro-1H-purine-2,6,8(3H)-trione; 33278-42-1; CHEBI:46811; 2,6-dihydroxy-7,9-dihydro-8H-purin-8-one; 9H-purine-2,6,8-triol; ZINC00895200; 530-13-2; InChI=1/C5H4N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12; uric acid; ST5406901; 2,6,8-trioxypurine; 1H-Purine-2,6,8-triol 2,6,8-Trihydroxypurine; AIDS023028; 13154-20-6; CHEBI:17775; Purine-2,6,8(1H,3H,9H)-trione; 7,9-dihydro-3H-purine-2,6,8-trione; NSC3975; 42911-28-4; CHEBI:46823; 1H-Purine-2,6,8(3H)-trione, 7,9-dihydro-; AIDS-023028; URATE; 2,6,8-Trioxopurine; 2,6,8-trihydroxypurine; EINECS 200-720-7; 8-hydroxyxanthine; 42911-27-3; U0881_SIGMA; CHEBI:46817 |
C5H4N4O3 |
168.11 |
C12=C(NC(=O)N1)NC(=O)NC2=O |
|
TCMBANKIN058484 |
quinic acid |
Cyclohexanecarboxylicacid, 1,3,4,5-tetrahydroxy-, (1a,3R,4a,5R); SCHEMBL12464756; Kinate; SCHEMBL13577075; 1,3,4,5-Tetrahydroxycyclohexane-carboxylic acid; quinate; quinicacid; Quinic acid; (3R)-1,3,4,5-tetrakis(oxidanyl)cyclohexane-1-carboxylic acid; Chinate; SCHEMBL14960616; (1R,3R,4S)-1,3,4,5-tetrahydroxycyclohexane-1-carboxylic acid; (3R)-1,3,4,5-tetrahydroxy-1-cyclohexanecarboxylic acid; SCHEMBL39555; A839299 |
C7H12O6 |
192.17 |
C1C(C(C(CC1(C(=O)O)O)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 |
|
TCMBANKIN058683 |
2-[(1R,3S,4S)-3-isopropenyl-4-methyl-4-vinylcyclohexyl]propan-2-ol |
EINECS 211-360-5; 2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]propan-2-ol; 8024-27-9; AI3-00210; Cyclohexanemethanol, 4-ethenyl-alpha,alpha,4-trimethyl-3-(1-methylethenyl)-, (1R,3S,4S)-; Cyclohexanemethanol, 4-ethenyl-alpha,alpha,4-trimethyl-3-(1-methylethenyl)-, (1R-(1alpha,3alpha,4beta))-; 2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-yl-cyclohexyl]propan-2-ol; 639-99-6; Cyclohexanemethanol, 4-ethenyl-alpha,alpha,4-trimethyl-3-(1-methylethenyl)-, (1theta-(1alpha,3alpha,4beta))-; 2-[(1R,3S,4S)-3-isopropenyl-4-methyl-4-vinyl-cyclohexyl]propan-2-ol; (1S,2S,4R)-(-)-alpha,alpha-Dimethyl-1-vinyl-o-menth-8-ene-4-methanol;Elemol;elemol; GFJIQNADMLPFOW-GUTXKFCHSA-N; [1R-[1.alpha.,3.alpha.,4.beta.]]-4-Ethenyl-.alpha.,.alpha.,4-trimethyl-3-[1-methylethenyl]cyclohexanemethanol |
C15H26O |
222.37 |
CC(=C)C1CC(CCC1(C)C=C)C(C)(C)O |
|
TCMBANKIN058844 |
Nerol acetate |
3, 6-octadienyl acetate; 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (2E)-; EINECS 205-459-2; Meraneine; DSSTox_CID_654; Bay pine (oyster) oil; Acetic acid geranyl; 3,7-Dimethyl-2,6-octadienyl acetate; W277304_ALDRICH; Geraniol acetate; 166243_ALDRICH; ST50306944; Jsp000549; 8022-83-1; 130396-84-8; 45896_FLUKA; NSC-72031; trans-3,7-Dimethyl-2,6-octadienyl acetate; 2, 3,7-dimethyl-, acetate,(E)-; HSDB 586; FEMA Number 2509; 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate; 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (E)-; 68311-13-7; 3,7-Dimethyl-2,6-octadienyl acetate, (Z)-; NSC2584; 3,7-Dimethyl-2,6-octadien-1-yl ethanoate, cis-; (E)-3,7-Dimethyl-2,6-octadien-1-yl acetate; I14-1178; NSC72031; ZX-AT010684; W-108778; (E)-3,7-Dimethylocta-2,6-dien-1-yl acetate; W250902_ALDRICH; AC1LU7NR; BRN 1722814; MLS002152904; 3,7-Dimethyl-2,6-octadien-1-ylacetic acid; GERANYL ACETATE; Geranyl Acetate 98; SCHEMBL56913; HMS2268G10; W250910_ALDRICH; [(2E)-3,7-dimethylocta-2,6-dienyl] acetate; 68412-04-4; 3,7-Dimethyl-2,6-octadien-1-yl acetate, cis-; 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate,(E)-; acetic acid [(2E)-3,7-dimethylocta-2,6-dienyl] ester; FEMA No. 2773; 16409-44-2; O310; NCGC00091394-02; 4-02-00-00204 (Beilstein Handbook Reference); 45897_FLUKA; Acetic acid geraniol ester; 130396-85-9; trans-Geraniol acetate; Geranyl acetate, >=97%; trans-3,7-Dimethyl-2,6-octadien-1-ol, acetate; EINECS 203-341-5; acetic acid [(2Z)-3,7-dimethylocta-2,6-dienyl] ester; Acetic acid, geraniol ester; AKOS015837938; 3,7-dimethyl-2,6-octadien-1-yl acetate; 1,6-Octadiene, 7-methyl-3-methylene-, acetylated; Tox21_202089; beta-Geranyl Acetate; WLN: 1Y & U3YU2OV1-T; Geranyl acetate, food grade (71% geranyl acetate, 29% citronellyl acetate); NCGC00259638-01; CCRIS 877; 141-12-8; acetic acid 3,7-dimethylocta-2,6-dienyl ester; Geranyl acetate, analytical standard; Geranyl ethanoate; MolPort-003-855-596; DSSTox_GSID_20654; CHEBI:5331; CHEMBL1369384; NERYLACETATE; 2,6-Octadien-1-ol, 3,7-dimethyl-, 1-acetate, (2E)-; C09861; 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, trans-; GERANYL ACETATE FCC; NCGC00254482-01; Linalyl, neryl, geranyl acetates, mixture; AC1Q65TG; cis-3,7-Dimethyl-2,6-octadien-1-ol acetate; 2-02-00-00153 (Beilstein Handbook Reference); 3,7-Dimethyl-2,6-octadien-1-ol acetate; DSSTox_RID_75714; nerylacetate; CJ-24102; Acetic acid, geranyl ester; FEMA No. 2509; [(2Z)-3,7-dimethylocta-2,6-dienyl] ethanoate; 3,7-Dimethyl-2,6-octadien-1-ylacetate; ZINC01531610; DTXSID0020654; 3,7-Dimethyl-2,6-octadienyl acetate, mixture of isomers, >97.0% (sum of isomers, GC); 3,7-Dimethyloctyl acetate, tetradehydro derivative; EC 203-341-5; SCHEMBL56914; CAS-105-87-3; (2Z)-3,7-dimethyl-2,6-octadien-1-yl acetate; Tox21_300355; NCI-C54728; EINECS 240-458-0; Nerol acetate (6CI); Geranyl acetate, natural, FCC; TC-169893; 3,7-Dimethyl-2,6-octadienyl=acetate; ST5306944; 46015_FLUKA; 1-Octanol, 3,7-dimethyl-, 1-acetate, tetradehydro deriv.; EINECS 269-749-0; NSC 2584; Nerol acetate; HIGQPQRQIQDZMP-DHZHZOJOSA-N; (2E)-3,7-Dimethyl-2,6-octadienyl acetate #; 3,7-Dimethyl-2,6-octadien-1-yl ethanoate, trans-; Neryl ethanoate; trans-3,6-octadien-1-ol, acetate; I14-18212; Geranyl acetate, primary pharmaceutical reference standard; 2, 3,7-dimethyl-, acetate, (E)-; CC-35196; MFCD00015037; CHEBI:88568; 3,7-dimethylocta-2,6-dienyl ethanoate; 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (2Z)-; 105-87-3; NCGC00091394-03; 3,7-Dimethyl-2-trans, 6-octadienyl acetate; GERANYL ACETATE EXTRA; [(2E)-3,7-dimethylocta-2,6-dienyl] ethanoate; Geranyl acetate (natural); AI3-35817; 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (Z)-; 3,7-dimethylocta-2,6-dien-1-yl acetate; 2, 3,7-dimethyl-, acetate, trans-; ZINC1531610; Geranyl acetate, cis-; Geranyl acetate, FCC; J-007463; Geranyl acetate; 173495_ALDRICH; trans-3,7-Dimethyl-2,6-octadien-1-yl acetate; BDBM50037025; BRN 1722815; 33843-18-4; SMR000127400; 3W81YG7P9R; NCGC00091394-01; trans-2,6-Dimethyl-2,6-octadien-8-yl ethanoate; 3,7-Dimethyl-2E,6-octadienyl acetate; Geranyl acetate A; (2E)-3,7-dimethylocta-2,6-dien-1-yl acetate; 2,6-Dimethyl-2,6-octadiene-8-yl acetate; AN-22398; OR6044; geranylacetat; NCGC00091394-04; Neryl acetate; UNII-3W81YG7P9R; CJ-05234; G0028; Trans-3,7-dimethyl-2,6-octadien-1-yl ethanoate; Geranyl Acetate 60; 1-Octanol, 3,7-dimethyl-, acetate, tetradehydro deriv.; Monoterpene Acetate mixture; NSC-2584; AI3-00207; trans-3,7- dimethyl-2,6-octadien-1-ol acetate; LMFA07010189; Neryl acetate (natural); 3,7-Dimethylocta-2,6-dienyl acetate; cis-3,7-Dimethyl-2,6-octadien-1-yl acetate; [(2Z)-3,7-dimethylocta-2,6-dienyl] acetate; LS-2979; trans-geranyl acetate;nerolacetate |
C12H20O2 |
196.29 g/mol |
CC(=CCCC(=CCOC(=O)C)C)C |
|
TCMBANKIN058949 |
eugenone |
eugenon; 1-(2,4,6-Trimethoxyphenyl)-1,3-butanedione; Eugenone; 2,4,6-Trimethoxybenzoylacetone; J167.369F; ?eugenone ; 480-27-3; AKOS027749230; 1-(2,4,6-trimethoxyphenyl)butane-1,3-dione; AC1NSVC9; UNII-Q49DQ8CSTB; Q49DQ8CSTB;4-hydroxy-2-(2,4,5-trimethoxyphenyl)-2e-butenal |
C13H16O5 |
252.26 g/mol |
CC(=O)CC(=O)C1=C(C=C(C=C1OC)OC)OC |
|
TCMBANKIN058991 |
Fenchylacetat |
Fenchylacetate; .beta.-Fenchyl acetate, exo-; fenchyl acetate; [(1S,2R,4R)-1,3,3-trimethylnorbornan-2-yl] acetate; acetic acid [(1S,2R,4R)-1,3,3-trimethyl-2-norbornanyl] ester; [(1S,4R,6R)-1,5,5-trimethyl-6-bicyclo[2.2.1]heptanyl] ethanoate; [(1S,4R,6R)-1,5,5-trimethyl-6-bicyclo[2.2.1]heptanyl] acetate; acetic acid [(1S,2R,4R)-1,3,3-trimethylnorbornan-2-yl] ester; Bicyclo(2.2.1)heptan-2-ol, 1,3,3-trimethyl-, acetate, (1S,2R,4R)-; 76109-40-5 |
C12H20O2 |
196.29 |
CC(=O)OC1C(C2CCC1(C2)C)(C)C |
|
TCMBANKIN059023 |
()-Bornyl acetate |
ZINC00388664; ()-Acetic acid bornyl ester; 45853_FLUKA; endo-(1R)-1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl acetate |
C12H20O2 |
196.29 |
CC(=O)OC1CC2CCC1(C2(C)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 |
|
TCMBANKIN059684 |
Vitamin E β- |
|
C29H50O2 |
430.79 |
CC1=C(C(=C2CCC(OC2=C1C)(C)CCCC(C)CCCC(C)CCCC(C)C)C)O |
|
TCMBANKIN059746 |
α-tocopherol |
|
C29H50O2 |
430.7 g/mol |
CC1=C(C2=C(CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C(=C1O)C)C |
|
TCMBANKIN059820 |
atractylenolide iii; codonolactone |
|
C15H20O3 |
248.32 |
CC1=C2CC3C(=C)CCCC3(CC2(OC1=O)O)C |
|
TCMBANKIN059821 |
atractylenolideII |
|
C15H20O2 |
232.32 |
CC1=C2CC3C(=C)CCCC3(CC2OC1=O)C |
|
TCMBANKIN059831 |
Methyl atratate |
|
C10H12O4 |
196.2 |
CC1=CC(=C(C(=C1C(=O)OC)O)C)O |
|
TCMBANKIN059884 |
blumenol a |
|
C13H20O3 |
224.3 g/mol |
CC1=CC(=O)CC(C1(C=CC(C)O)O)(C)C |
|
TCMBANKIN059911 |
cuparene |
|
C15H22 |
202.33 g/mol |
CC1=CC=C(C=C1)C2(CCCC2(C)C)C |
|
TCMBANKIN059964 |
α-cadinol |
|
C15H26O |
222.37g/mol |
CC1=CC2C(CCC(C2CC1)(C)O)C(C)C |
|
TCMBANKIN059967 |
germacrone |
|
C15H22O |
218.33 |
CC1=CCC(=C(C)C)C(=O)CC(=CCC1)C |
|
TCMBANKIN059995 |
l-Carvyl acetate |
|
C12H18O2 |
194.27 |
CC1=CCC(CC1OC(=O)C)C(=C)C |
|
TCMBANKIN060018 |
Costunolide |
|
C15H20O2 |
232.32 g/mol |
CC1=CCCC(=CC2C(CC1)C(=C)C(=O)O2)C |
|
TCMBANKIN060036 |
neolinderalactone |
|
C15H16O3 |
244.29 |
CC1=CCCC2=CC(C3=C(C1)OC=C3C)OC2=O |
|
TCMBANKIN060086 |
gibberellin a 60;GA60 |
|
C19H24O6 |
348.39 |
CC12CCC(C3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)OC2=O)O |
|
TCMBANKIN060108 |
Naphthol[1,2-b]furan-2(3H)-one,decahydro-6-hydroxy-5a-methyl-3,9-bis(methylene)-,[3as-(3aalpha,5abeta,6beta,9aalpha,9bbeta)] |
|
C15H20O3 |
248.32 g/mol |
CC12CCC3C(C1C(=C)CCC2O)OC(=O)C3=C |
|
TCMBANKIN060117 |
iso-alantolactone |
|
C15H20O2 |
232.32 |
CC12CCCC(=C)C1CC3C(C2)OC(=O)C3=C |
|
TCMBANKIN060343 |
xuellanlactone |
|
C15H20O3 |
248.32 g/mol |
CC1C2C(CC(=C)C3CCC(=C)C3C2OC1=O)O |
|
TCMBANKIN060373 |
thujylalcohol |
|
C10H18O |
154.25 g/mol |
CC1C2CC2(CC1O)C(C)C |
|
TCMBANKIN060468 |
(+)-calaren |
|
C15H24 |
204.35 |
CC1CCC=C2C1(C3C(C3(C)C)CC2)C |
|
TCMBANKIN060713 |
Methyl jasmonate |
|
C13H20O3 |
224.3 g/mol |
CCC=CCC1C(CCC1=O)CC(=O)OC |
|
TCMBANKIN060831 |
senkyunolide |
|
C12H16O2 |
192.25 g/mol |
CCCCC1C2=C(C=CCC2)C(=O)O1 |
|
TCMBANKIN060834 |
neocnidilide |
|
C12H18O2 |
194.27 |
CCCCC1C2CCCC=C2C(=O)O1 |
|
TCMBANKIN061215 |
n-butyl-β-D-fructopyranoside |
|
C10H20O6 |
237.27 g/mol |
CCCCOC1(C(C(C(CO1)O)O)O)CO |
|
TCMBANKIN061216 |
n-butyl-β-D-fructoufranoside |
|
C10H20O6 |
236.26 g/mol |
CCCCOC1(C(C(C(O1)CO)O)O)CO |
|
TCMBANKIN061271 |
EA-fructofuranoside |
|
C8H16O6 |
208.21 |
CCOC1(C(C(C(O1)CO)O)O)CO |
|
TCMBANKIN061275 |
Ethyl glucoside |
|
C8H16O6 |
208.21 |
CCOC1C(C(C(C(O1)CO)O)O)O |
|
TCMBANKIN061401 |
Methylgallate |
BRN 2113180; methyl gallate ; Gallic acid methyl ester; Benzoic acid, 3,4,5-trihydroxy-, methyl ester; ZINC00021789; InChI=1/C8H8O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3,9-11H,1H; 3,4,5-trihydroxybenzoic acid methyl ester; NSC363001; NSC 363001; methyl gallate; CCRIS 5567; EINECS 202-741-7; AIDS-026332; METHYL GALLATE; 99-24-1; meGAL; MLS000574912; AI3-00861; 4-10-00-01998 (Beilstein Handbook Reference); 274194_ALDRICH; AIDS026332; SMR000156263; Gallic acid, methyl ester; 48690_FLUKA; Methyl 3,4,5-trihydroxybenzoate; gallincin |
C8H8O5 |
184.15 |
COC(=O)C1=CC(=C(C(=C1)O)O)O |
|
TCMBANKIN061430 |
Methyl-alpha-D-fructofuranoside |
AC1O3DA5; methyl-alpha-d-fructofuranoside; 53431-77-9; (2S,3S,4S,5R)-2,5-bis(hydroxymethyl)-2-methoxy-tetrahydrofuran-3,4-diol; (2R,3S,4R,5R)-2-ethoxy-2-(hydroxymethyl)oxane-3,4,5-triol; methyl-α-d-fructofuranoside; (2S,3S,4S,5R)-2,5-bis(hydroxymethyl)-2-methoxyoxolane-3,4-diol; ethyl beta-d-fructopyranoside; (2S,3S,4S,5R)-2-methoxy-2,5-dimethylol-tetrahydrofuran-3,4-diol; ethyl beta-fructopyranoside; beta-D-Fructopyranoside, ethyl; (2S,3S,4S,5R)-2,5-bis(hydroxymethyl)-2-methoxytetrahydrofuran-3,4-diol; (2S,3S,4S,5R)-2,5-bis(hydroxymethyl)-2-methoxy-oxolane-3,4-diol;methyl-β-D-fructofuranoside |
C7H14O6 |
194.18 |
COC1(C(C(C(O1)CO)O)O)CO |
|
TCMBANKIN061440 |
Phytodolor |
AIDS348374; 7-hydroxy-6,8-dimethoxychromen-2-one; NSC324637; ISOFRAXIDIN B814484K143; 7-hydroxy-6,8-dimethoxy-chromen-2-one; NSC 324637; 2H-1-Benzopyran-2-one, 7-hydroxy-6,8-dimethoxy-; Umbelliferone, 6,8-dimethoxy-; 7-Hydroxy-6,8-dimethoxy-2H-1-benzopyran-2-one; AIDS-348374; BRN 0202652; 7-hydroxy-6,8-dimethoxy-2-chromenone; 2H-1- Benzopyran-2-one, 7-hydroxy-6,8-dimethoxy-; 7-hydroxy-6,8-dimethoxy-coumarin; Isofraxidin; 486-21-5; 5-18-04-00332 (Beilstein Handbook Reference); Coumarin, 7-hydroxy-6,8-dimethoxy-; isofraxidin; 486I215; AC-8051; Q-100542; SCHEMBL3924718; 7-hydroxy-6,8-dimethoxychromen-2-one; HOEVRHHMDJKUMZ-UHFFFAOYSA-N; UNII-304915F056; NSC324637; V1549; 6,8-dimethoxy-7-hydroxycoumarin; ISOFRAXIDIN B814484K143; 7-hydroxy-6,8-dimethoxy-1-benzopyran-2-one; Isofraxidin, analytical standard; 7-hydroxy-6,8-dimethoxy-chromen-2-one; C17480; NSC 324637; 2H-1-Benzopyran-2-one,7-hydroxy-6,8-dimethoxy-; CTK8E5534; SC-17017; 2H-1-Benzopyran-2-one, 7-hydroxy-6,8-dimethoxy-; Umbelliferone, 6,8-dimethoxy-; 7-Hydroxy-6,8-dimethoxy-2H-1-benzopyran-2-one; CHEMBL451518; AC1NSX0O; Phytodolor; 6,8-dimethoxy-7-oxidanyl-chromen-2-one; FT-0688350; Ambotz486-21-5; TR-017709; A827571; NSC-324637; 6,8-Dimethoxyumbelliferone; AN-8405; DTXSID70197557; I14-19008; BRN 0202652; 7-Hydroxy-6,8-dimethoxycoumarin; LS-39687; FT-0698467; BG01525210; Isofraxidin; AKOS000278010; 486-21-5; 5-18-04-00332 (Beilstein Handbook Reference); MCULE-8927053707; ZINC1573299; 304915F056; Coumarin, 7-hydroxy-6,8-dimethoxy-; CHEBI:81121; W-2732; MolPort-000-882-100 |
C11H10O5 |
222.19 |
COC1=C(C(=C2C(=C1)C=CC(=O)O2)OC)O |
|
TCMBANKIN061528 |
scopoletin |
NINDS_000720; 7-hydroxy-6-methoxy-coumarin; NCGC00016349-05; 6-methoxy-7-hydroxycoumarin; 6-methoxy-7-oxidanyl-chromen-2-one; CHEBI:17488; SPBio_002884; HMS1571A05; RODXRVNMMDRFIK-UHFFFAOYSA-N; NCGC00016349-08; TR-029034; 5-18-03-00203 (Beilstein Handbook Reference); Acid, Gelseminic; 6-Methylesculetin; UNII-KLF1HS0SXJ; 7-hydroxy 6-methoxy coumarine; Scopoletin, >=99%; AB00443525; beta -methylesculetin; CS-5791; BRN 0156296; NCGC00094973-02; SR-01000841273-4; HMS2268G04; SCHEMBL147702; scopoletin ; Prestwick3_000962; CHEMBL71851; Escopoletin; Spectrum2_001207; HMS2098A05; NCGC00016349-07; NCGC00094973-03; Murrayetin; 7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one; Bio-0208; NCGC00016349-02; Prestwick2_000962; ZB002243; BG01509594; NCGC00016349-03; BPBio1_001061; Scopoletin, analytical standard; AX8035441; 0B4B9FAA-686D-4977-AA08-65F8E4F1977C; BRD-K96163925-001-06-5; ZX-AN021883; FCH1115349; AC1NQX27; 7-hydroxy-6-methoxy-chromen-2-one; KBio3_002444; DTXSID0075368; 7-Hydroxy-5-methoxycoumarin; SC-90283; ST24045669; b-Methylaesculetin; KBioGR_001348; 7-Hydroxy-6-methoxy-2H-chromen-2-one #; Gelseminic acid; ZX-AFC000681; S0367; MLS002154074; 4CN-0905; 6-O-Methylesculetin; HMS502D22; KLF1HS0SXJ; MCULE-6077230919; MLS002472878; IDI1_000720; SPECTRUM1502242; Aesculetin 6-methyl ether; C-30831; MFCD00006872; Scopoletol; Buxuletin; AB0019688; CC-34387; Chrysotropic Acid; RTR-029034; ACon1_000143; CCRIS 3592; 6-Methoxyumbelliferone; LS-55217; NSC-405647; NSC 405647; 6-Methoxy-7-hydroxycoumarin; Esculetin-6-methyl ether; BDBM50156693; ZX-AT021192; AK111291; Scopoletin, United States Pharmacopeia (USP) Reference Standard; 7-Hydroxy-6-methoxy-2H-chromen-2-one; I14-14171; Prestwick1_000962; PubChem15777; MolPort-000-707-493; DivK1c_000720; A844290; AN-42608; NCGC00016349-04; ST056287; ZINC57733; BSPBio_002944; Chrysatropic acid; NCI60_003834; CAS-92-61-5; Acid, Chrysotropic; NSC405647; SR-01000841273; Prestwick0_000962; BSPBio_000963; KBio1_000720; FT-0631451; beta-Methylesculetin; Spectrum4_001054; SR-01000841273-3; AJ-09778; 7-Hydroxy-6-methoxycoumarin; W-3522; MEGxp0_001192; HY-N0342; NCGC00016349-06; Scopoletine; 7-hydroxy-6-methoxy-1-benzopyran-2-one; 006S872; OR22352; S-2000; NCGC00094973-01; EINECS 202-171-9; TNP00096; KS-00000YGS; Spectrum5_000654; Spectrum3_001532; TD8126; 2H-1-Benzopyran-2-one, 7-hydroxy-6-methoxy- (9CI); SPBio_000994; AKOS000277133; COUMARIN, 7-HYDROXY-6-METHOXY-; 2H-1-Benzopyran-2-one, 7-hydroxy-6-methoxy-; SMR000112541; BIDD:PXR0125; CCG-39140; Esculetin 6-methyl ether; D05QOR; 92-61-5; ALBB-023369; 7-hydroxy-6-methoxychromen-2-one; C01752; BIS1402; HMS1921N16; KB-249948; .beta.-Methylesculetin; NCGC00016349-01; Baogongteng B; 7-hydroxy-6-methoxy-chromen-2-one; KBio3_002444; NINDS_000720; 7-Hydroxy-5-methoxycoumarin; 7-hydroxy-6-methoxy-coumarin; Scopoletine; S2500_SIGMA; 7-hydroxy-6-methoxy-2H-chromen-2-one; CHEBI:17488; KBioGR_001348; SPBio_002884; Prestwick1_000962; NCGC00094973-01; 5-18-03-00203 (Beilstein Handbook Reference); EINECS 202-171-9; scopoletol; TNP00096; AIDS-014975; Gelseminic acid; DivK1c_000720; 6-O-Methylesculetin; Spectrum5_000654; Spectrum3_001532; 6-Methylesculetin; 2H-1-Benzopyran-2-one, 7-hydroxy-6-methoxy- (9CI); MEGxp0_001192; SPBio_000994; Scopoletin; 84792_FLUKA; IDI1_000720; COUMARIN, 7-HYDROXY-6-METHOXY-; 2H-1-Benzopyran-2-one, 7-hydroxy-6-methoxy-; ST056287; NCGC00094973-02; BRN 0156296; SPECTRUM1502242; Esculetin 6-methyl ether; BSPBio_002944; Chrysatropic acid; NCI60_003834; CAS-92-61-5; Prestwick3_000962; 7-hydroxy-6-methoxy-2-chromenone; Escopoletin; Spectrum2_001207; NCGC00094973-03; Murrayetin; 92-61-5; NSC405647; BSPBio_000963; NCGC00016349-02; KBio1_000720; 7-hydroxy-6-methoxychromen-2-one; Prestwick0_000962; 7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one; C01752; ZINC00057733; AIDS014975; Prestwick2_000962; Spectrum4_001054; beta-Methylesculetin; ACon1_000143; BPBio1_001061; CCRIS 3592; 6-Methoxyumbelliferone; 7-Hydroxy-6-methoxycoumarin; .beta.-Methylesculetin; NCGC00016349-01; NSC 405647; 6-Methoxy-7-hydroxycoumarin; Esculetin-6-methyl ether; 6-methoxy-7-hydroxycoumarin; 7- hydroxy- 6-methoxy- coumarin; 6-methoxy-7-hydroxy coumarin; Scopoletol |
C10H8O4 |
192.17 g/mol |
COC1=C(C=C2C(=C1)C=CC(=O)O2)O |
|
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 |
|
TCMBANKIN061552 |
Isoscopoletin;6-Hydroxy-7-methoxy-2H-chromen-2-one;6-hydroxy-7-methoxy coumarin;6-hydroxy-7-methylcoumarin |
6-Hydroxy-7-methoxy-2-benzopyrone; isoscopoletin ; 6-hydroxy-7-methoxychromen-2-one; Esculetin 7-methyl ether; 2H-1-Benzopyran-2-one, 6-hydroxy-7-methoxy-; 776-86-3; 6-hydroxy-7-methoxy-chromen-2-one; 7-Methyl esculetin; ST5331501; isoscopoletin; 6-hydroxy-7-methoxy-coumarin; NCGC00163577-01; AIDS026314; 6-Hydroxy-7-methoxycoumarin; 17795_FLUKA; AIDS-026314; EINECS 212-282-4; 7-Methoxyesculetin; 6-hydroxy-7-methoxy-2-chromenone |
C10H8O4 |
192.17g/mol |
COC1=C(C=C2C=CC(=O)OC2=C1)O |
|
TCMBANKIN061590 |
isorhamnetin |
3'-O-Methylquercetin; 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxy-phenyl)chromone; 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxy-phenyl)chromen-4-one; Isorhamnetin; BRN 0044723; Flavone, 3,3',5,7-tetrahydroxy-4'-methoxy-; C10084; Quercetin 3'-methyl ether; 3'-Methoxyquercetin; CCRIS 3791; 3,5,7-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-benzopyrone; 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)- (9CI); C.I. 75680; 4'-Methoxy-3,3',5,7-tetrahydroxy-flavone; ST5309356; Quercetin, 4'-methyl ether; Flavone, 3'-methoxy-3,4',5,7-tetrahydroxy-; AIDS-003060; 480-19-3; ACon1_000275; AIDS003060; 4'-O-Methylquercetin; 3-Methylquercetin; Oprea1_145406; ZINC00517261; 4'-Methoxyquercetin; NCGC00163572-01; 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one; BRN 0324993; 4H-1-Benzopyran-4-one, 2-(3-methoxy-4-hydroxyphenyl)-3,5,7-trihydroxy-; 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)- (9CI); EINECS 210-050-7; 3'-Methoxy-3,4',5,7-tetrahydroxyflavone; MEGxp0_001863; NCGC00163572-02; EINECS 207-545-5; Isorhamnetol; 3,5,7-Trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-benzopyrone; 17794_FLUKA; FLAVONE, 4'-METHOXY-3,3',5,7-TETRAHYDROXY-; 4'-Methylquercetin; 5-18-05-00496 (Beilstein Handbook Reference); 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-; 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-chromenone; 3-Methylquercetine; FLAVONE, 3,4',5,7-TETRAHYDROXY-3'-METHOXY-; 3-methylquercetin; quercetin-3'-methyl ether |
C16H12O7 |
316.26 g/mol |
COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O |
|
TCMBANKIN061684 |
APIOL |
SPBio_000378; Apiol; NCGC00094551-03; 1-Allyl-2,5-dimethoxy-3,4-methylenedioxybenzene; NCGC00094551-02; UNII-QQ67504PXO; Parsley apiol; LS-29055; apiol ; Petersiliencampher; 5-Allyl-4,7-dimethoxybenzo[d][1,3]dioxole; 5-Allyl-4,7-dimethoxy-1,3-benzodioxole; WLN: T56 BO DO CHJ FO1 H2U1 IO1; AKOS003398564; VZ27613; AC1L1VO5; 1,3-Benzodioxole,4,7-dimethoxy-5-(2-propen-1-yl)-; QQRSPHJOOXUALR-UHFFFAOYSA-N; CHEBI:70353; AK400693; Spectrum_000400; 4,7-Dimethoxy-5-(2-propen-1-yl)-1,3-Benzodioxole; 1-Allyl-2,5-dimethoxy-3,4-(methylenedioxy)-Benzene; ZB000008; ZINC48; BRN 0195747; Benzene,5-dimethoxy-3,4-(methylenedioxy)-; SR-05000002460-1; MolPort-001-784-597; FT-0632286; CCG-39582; DTXSID4041236; Spectrum3_001283; 83382-66-5; Parsley apiole; apiol; KBio3_002105; 1-Allyl-2,5-dimethoxy-3,4-(methylenedioxy)benzene; ST097617; C10429; 4,7-dimethoxy-5-(2-propanyl)-1,3-benzodioxole, AldrichCPR; KBio2_003448; SPECTRUM390001; 5-Allyl-4,7-dimethoxy-1,3-benzodioxol; STK664284; MFCD00047270; BENZENE, 1-ALLYL-2,5-DIMETHOXY-3,4-(METHYLENEDIOXY)-; 523-80-8; KBio2_000880; BSPBio_002885; SCHEMBL497412; Camphre de Persil; NSC-9070; NSC 9070; KBioSS_000880; ZERO/009048; 4,7-dimethoxy-5-(prop-2-en-1-yl)-2H-1,3-benzodioxole; SBB014761; EINECS 208-349-2; Parsley camphor; Spectrum2_000419; 1-Allyl-2,5-dimethoxy-3, 4-(methylenedioxy)benzene; 5-Allyl-4,7-dimethoxy-1,3-benzodioxole #; KBio2_006016; Apiole; NSC9070; QQ67504PXO; 4,7-dimethoxy-5-prop-2-enyl-1,3-benzodioxole; NCGC00094551-01; 5-allyl-4,7-dimethoxy-benzo[1,3]dioxole; Benzene, 1-allyl-2,5-dimethoxy-3,4-(methylenedioxy)-; Apioline; 4,7-Dimethoxy-5-(2-propenyl)-1,3-benzodioxole, 9CI; 1,3-Benzodioxole, 4,7-dimethoxy-5-(2-propen-1-yl)-; CHEMBL1560118; Apiole (parsley); AI3-14843; 4,7-dimethoxy-5-prop-2-enyl-2H-benzo[d]1,3-dioxolene; 4,7-Dimethoxy-5-(2-propenyl)-1,3-benzodioxole; Spectrum5_001718; KBioGR_002105; SR-05000002460; 4,7-dimethoxy-5-(prop-2-en-1-yl)-1,3-benzodioxole; 1,3-Benzodioxole, 4,7-dimethoxy-5-(2-propenyl)-; 1-Allyl-2,4-(methylenedioxy)benzene; 1, 4,7-dimethoxy-5-(2-propenyl)-; Spectrum4_001643; APIOL; Petersiliencampher; 5-Allyl-4,7-dimethoxybenzo[d][1,3]dioxole; 5-Allyl-4,7-dimethoxy-1,3-benzodioxole; WLN: T56 BO DO CHJ FO1 H2U1 IO1; AKOS003398564; VZ27613; AC1L1VO5; 1,3-Benzodioxole,4,7-dimethoxy-5-(2-propen-1-yl)-; QQRSPHJOOXUALR-UHFFFAOYSA-N; CHEBI:70353; AK400693; Spectrum_000400; 4,7-Dimethoxy-5-(2-propen-1-yl)-1,3-Benzodioxole; 1-Allyl-2,5-dimethoxy-3,4-(methylenedioxy)-Benzene; ZB000008; ZINC48; BRN 0195747; Benzene,5-dimethoxy-3,4-(methylenedioxy)-; SR-05000002460-1; MolPort-001-784-597; FT-0632286; CCG-39582; DTXSID4041236; Spectrum3_001283; 83382-66-5; Parsley apiole; KBio3_002105; 1-Allyl-2,5-dimethoxy-3,4-(methylenedioxy)benzene; ST097617; C10429; 4,7-dimethoxy-5-(2-propanyl)-1,3-benzodioxole, AldrichCPR; KBio2_003448; SPECTRUM390001; 5-Allyl-4,7-dimethoxy-1,3-benzodioxol; STK664284; MFCD00047270; BENZENE, 1-ALLYL-2,5-DIMETHOXY-3,4-(METHYLENEDIOXY)-; 523-80-8; KBio2_000880; BSPBio_002885; SCHEMBL497412; Camphre de Persil; NSC-9070; NSC 9070; KBioSS_000880; 4,7-dimethoxy-5-(prop-2-en-1-yl)-2H-1,3-benzodioxole; SBB014761; EINECS 208-349-2; Parsley camphor; 1-Allyl-2,5-dimethoxy-3, 4-(methylenedioxy)benzene; Spectrum2_000419; 5-Allyl-4,7-dimethoxy-1,3-benzodioxole #; KBio2_006016; Apiole; NSC9070; QQ67504PXO; 4,7-dimethoxy-5-prop-2-enyl-1,3-benzodioxole; NCGC00094551-01; 5-allyl-4,7-dimethoxy-benzo[1,3]dioxole; Apioline; 4,7-Dimethoxy-5-(2-propenyl)-1,3-benzodioxole, 9CI; 1,3-Benzodioxole, 4,7-dimethoxy-5-(2-propen-1-yl)-; CHEMBL1560118; Apiole (parsley); AI3-14843; 4,7-dimethoxy-5-prop-2-enyl-2H-benzo[d]1,3-dioxolene; 4,7-Dimethoxy-5-(2-propenyl)-1,3-benzodioxole; Spectrum5_001718; KBioGR_002105; SR-05000002460; 4,7-dimethoxy-5-(prop-2-en-1-yl)-1,3-benzodioxole; 1,3-Benzodioxole, 4,7-dimethoxy-5-(2-propenyl)-; 1-Allyl-2,4-(methylenedioxy)benzene; 1, 4,7-dimethoxy-5-(2-propenyl)-; Spectrum4_001643 |
C12H14O4 |
222.24 |
COC1=C2C(=C(C(=C1)CC=C)OC)OCO2 |
|
TCMBANKIN061708 |
2,4,5-Trimethoxy benzoic acid |
2,4,5-trimethoxybenzoicacid; Asaronic acid; 138894_ALDRICH; EINECS 207-715-9; InChI=1/C10H12O5/c1-13-7-5-9(15-3)8(14-2)4-6(7)10(11)12/h4-5H,1-3H3,(H,11,12; 2,4,5,-TRIMETHOXYBENZOIC ACID; Benzoic acid, 2,4,5-trimethoxy-; 2,4,5-Trimethoxybenzoic acid; AI3-38428; ST5213896 |
C10H12O5 |
212.2 g/mol |
COC1=CC(=C(C=C1C(=O)O)OC)OC |
|
TCMBANKIN061713 |
gamma-Asarone |
1-allyl-2,4,5-trimethoxybenzene; gamma-asarone ; 1,2,4-trimethoxy-5-prop-2-enylbenzene; 1,2,4-Trimethoxy-5-(2-propenyl)benzene; 2,4,5-Trimethoxyallylbenzene; 1-Allyl-2,4,5-trimethoxy-benzene; 1,2,4-trimethoxy-5-prop-2-enyl-benzene; InChI=1/C12H16O3/c1-5-6-9-7-11(14-3)12(15-4)8-10(9)13-2/h5,7-8H,1,6H2,2-4H; 5353-15-1; benzene, 1,2,4-trimethoxy-5-(2-propenyl)-; 1-allyl-2,4,5-trimethoxy-benzene; euasarone; sekishone; 2,4,5-Trimethoxy-1-propenylbenzene; Asarone; LS-32252; Benzene, 1,2,4-trimethoxy-5-(1-propenyl)-; EINECS 207-788-7; 1,2,4-trimethoxy-5-propenyl-benzene; AB0013259; asarone, (E)-isomer; Azaron; Etherophenol; trans-Isoasaron; Benzene, 1,2,4-trimethoxy-5-(1-propenyl)-, (E)-; C12H16O3; 1,2,4-Trimethoxy-5-[(1E)-1-propenyl]benzene; 1,2,4-Trimethoxy-5-propenyl-(E)-Benzene; HY-N0700; 883A989; alpha-Asarone; Asaron; 1-((1E)prop-1-enyl)-2,4,5-trimethoxybenzene; trans-1-Propenyl-2,4,5-trimethoxybenzene; cis-Isoelemicin; Benzene, 1,2,4-trimethoxy-5-propenyl-; H784; asarone, (Z)-isomer; benzene, 1,2,4-trimethoxy-5-[(1E)-1-propenyl]-; Benzene,2,4-trimethoxy-5-(1-propenyl)-; Benzene, 1,2,4-trimethoxy-5-(1-propenyl)- (9CI); MolPort-003-925-787; Asarabacca camphor; TRANS-ASARONE; 1,2,4-trimethoxy-5-[(1E)-prop-1-enyl]benzene; Benzene, 1,2,4-trimethoxy-5-(1-propen-1-yl)-; AB02604; trans-1,2,4-Trimethoxy-5-(1-propenyl)benzene;trans-1-Propenyl-2,4,5-trimethoxybenzene; alpha-Asarone, analytical standard; BDBM50240783; 1,2,4-Trimethoxy-5-(1-propenyl)-(E)-Benzene; HSDB 3464; BBL028099; DQY9PNE5FK; MEGxp0_001333; Benzene, 1,2,4-trimethoxy-5-(1E)-1-propenyl-; BG00604371; Q-100365; ACM494406; 1,2,4-Trimethoxy-5-(1-propenyl)benzene; Isoasaron (6CI); BB_NC-2561; Benzene, 1,2,4-trimethoxy-5-propenyl-, trans-; (E)-1,2,4-TRIMETHOXY-5-(PROP-1-EN-1-YL)BENZENE; trans-1,2,4-Trimethoxy-5-(1-propenyl)benzene; alpha-Azaron; SCHEMBL528746; (E)-1,2,4-Trimethoxy-5-(1-propenyl)benzene; RKFAZBXYICVSKP-AATRIKPKSA-N; I01-0274; 494-40-6; 1,2,4-trimethoxy-5-trans-propenyl-benzene; STL146379; (E)-1,2,4-Trimethoxy-5-prop-1-enylbenzene; 1,2,4-Trimethoxy-5-propenyl-trans-Benzene; ALPHA-ASARONUM; 1,2,4-trimethoxy-5-[(E)-prop-1-enyl]benzene; Benzene, 1,2,4-trimethoxy-5-propenyl-, (E)-; (E)-2,4,5-Trimethoxypropenylbenzene; BRN 1910606; AI3-36897; C17846; MCULE-2232214693; Asarum camphor; InChI=1/C12H16O3/c1-5-6-9-7-11(14-3)12(15-4)8-10(9)13-2/h5-8H,1-4H3/b6-5; AS-13278; AI3-36725; TR-012662; CHEBI:78309; SC-19253; AKOS001590148; CHEMBL333306; trans-2,4,5-Trimethoxypropenylbenzene; BRN 1910605; 1,2,4-trimethoxy-5-[(1E)-prop-1-en-1-yl]benzene; alpha-Asarone, 98%; KB-84477; NSC-107257; 2,4,5-TRIMETHOXYPROPENYL BENZENE; EINECS 220-743-6; A819627; (E)-Asarone; Trans-(alpha )-asarone; NSC107257; 4-06-00-07476 (Beilstein Handbook Reference); DTXSID20197784; trans-Isoasarone; alpha-Asaron; 2,4,5-Trimethoxypropen-1-ylbenzene; EINECS 226-096-6; ALPHA-ASARONE (PHENOL DERIVATIVE); SC-80472; Benzene, 1,2,4-trimethoxy-5-propenyl- (8CI); 2883-98-9; UNII-DQY9PNE5FK; MFCD00064457; AB3000031; ACN-043314; CS-5520; 2,4,5-Trimethoxyphenyl-2-propene; M-2120; ZINC56550; Benzene, 1,2,4-trimethoxy-5-(1-propenyl)-, (Z)-; 17-(1,5-Dimethyl-hexyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol; compound with 1,2,4-trimethoxy-5-propenyl-benzene (Alphaasarone and cholesterol); AC1LCSZA; 2,5-Trimethoxy-1-propenylbenzene; CCRIS 1592; A-ASARONE; 1,2,4-Trimethoxy-5-propenylbenzene; ASARONE, A-; Benzene,2,4-trimethoxy-5-propenyl-; LS-32253; ST50319782; NSC 107257; CCRIS 1596; 1-allyl-2,4,5-trimethoxybenzene; AC1LCSUD; Sekishon; 1,2,4-Trimethoxy-5-(2-propenyl)benzene; AUNAUZZQBAIQFJ-UHFFFAOYSA-N; gamma-Asarone; Benzene, 1-allyl-2,4,5-trimethoxy-; 5353-15-1; Sekishone; CTK4J1291; 2,4,5-Trimethoxyallylbenzene; 2-Allyl-1,4,5-trimethoxybenzene; g-Asarone; 1,2,4-TRIMETHOXY-5-ALLYLBENZENE; 1,2,4-Trimethoxy-5-(2-propenyl)-Benzene; C17821; 2,4,5-Trimethoxy-1-allylbenzene; CHEBI:81353; SCHEMBL942820; Benzene, 1,2,4-trimethoxy-5-(2-propen-1-yl)-; DTXSID10201743; Euasarone; InChI=1/C12H16O3/c1-5-6-9-7-11(14-3)12(15-4)8-10(9)13-2/h5,7-8H,1,6H2,2-4H; isoasarone; (2,4,5-trimethoxyphenyl)prop-1-ene; Benzene, 1,2,4-trimethoxy-5-(2-propenyl)-; 1,2,4-trimethoxy-5-(prop-2-en-1-yl)benzene; 1,2,4-trimethoxy-5-prop-2-enylbenzene; .gamma.-Asarone |
C12H16O3 |
208.25 g/mol |
COC1=CC(=C(C=C1CC=C)OC)OC |
|
TCMBANKIN061745 |
syringic acid; Syryngic; 1,5-dimethoxy-3-hydroxybenzoicacid; 3,5-dimethoxy-4-hydroxybenzoic acid; Cedar acid |
I01-1212; syringicacid; 3,5-dimethoxy-4-oxidanyl-benzoate; CHEBI:132111; 4-hydroxy-3,5-dimethoxybenzoate; c1409; ZB006317; AKOS015888648; A824548; A829374; CJ-01507; AC1OC351; ST51051575; C10833; DivK1c_006581; KBio3_002814; 530-57-4; AI3-24376; 3,5-Dimethoxy-4-hydroxybenzyl acid; S6881_SIGMA; BSPBio_003312; InChI=1/C9H10O5/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4,10H,1-2H3,(H,11,12; EINECS 208-486-8; Gallic acid 3,5-dimethyl ether; Syringic acid; NSC2129; Spectrum3_001866; 4-10-00-01995 (Beilstein Handbook Reference); 4-Hydroxy-3,5-dimethoxybenzoic acid; SpecPlus_000485; NSC 2129; 4-hydroxy-3,5-dimethoxy-benzoic acid; Spectrum5_000963; ST5214746; KBio1_001525; BRN 2115262; 3,5-Dimethoxy-4-hydroxybenzoic acid; Benzoic acid, 4-hydroxy-3,5-dimethoxy- |
C9H10O5 |
198.17 g/mol |
COC1=CC(=CC(=C1O)OC)C(=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 |
|
TCMBANKIN061766 |
2,6-dimethoxy-4-(2-propenyl)phenol |
phenol,2,6-dimethoxy-4-(2-propenyl); Methoxyeugenol; NSC16953; 4-Hydroxy-3,5-dimethoxyallylbenzene; InChI=1/C11H14O3/c1-4-5-8-6-9(13-2)11(12)10(7-8)14-3/h4,6-7,12H,1,5H2,2-3H; methoxyeugenol; 6627-88-9; 2,6-Dimethoxy-4-allylphenol; SBB003607; A31601_ALDRICH; W365505_ALDRICH; Phenol, 4-allyl-2,6-dimethoxy-; NSC60246; 2,6-dimethoxy-4-prop-2-enylphenol; Phenol, 2,6-dimethoxy-4-(2-propenyl)-; ZINC00404273; 4-Allyl-2,6-dimethoxyphenol; 2,6-dimethoxy-4-prop-2-enyl-phenol; 4-allyl-2,6-dimethoxy-phenol |
C11H14O3 |
194.23 g/mol |
COC1=CC(=CC(=C1O)OC)CC=C |
|
TCMBANKIN061773 |
3,4,5-Trimethoxybenzaldehyde |
T68403_ALDRICH; 92140_FLUKA; AIDS017928; BRN 0395163; SBB016338; 4-08-00-02719 (Beilstein Handbook Reference); InChI=1/C10H12O4/c1-12-8-4-7(6-11)5-9(13-2)10(8)14-3/h4-6H,1-3H; Benzaldehyde, 3,4,5-trimethoxy-; EINECS 201-701-6; AI3-36673; AIDS-017928; NSC16692; ZINC02504375; 86-81-7; NSC 16692; BENZALDEHYDE,3,4,5-TRIMETHOXY-; 3,4,5-trimethoxy-benzaldehyde; ANW-38381; F3099-6595; 3,4,5-TRIMETHOXY PHENYL ALDEHYDE; CS-W010602; BG00603136; BBL007764; KSC490M1D; 3, 4, 5-trimethoxy-benzaldehyde; RTR-027021; ST24032528; 3, 4, 5-trimethoxybenzaldehyde; NSC 16692; 3,4,5 -trimethoxybenzaldehyde; TR-027021; AI3-36673; AC1L1NGM; LABOTEST-BB LT03379804; TIMTEC-BB SBB016338; AKOS000118928; NSC-16692; DTXSID4058948; KS-00000JQI; PubChem8266; CHEMBL3577781; RP25430; Benzaldehyde, 3,4,5-trimethoxy-; UNII-WL86YD76N6; TMBA; PARAGOS 530452; BB_SC-6574; 2.3.4-Trihyroxybenzaldehyde; KB-28091; AK-44126; I01-1414; AC1Q489N; AKOS 214-88; AB1003214; LABOTEST-BB LT03333791; FT-0614154; 3,4,5-Trimethoxybenzaldehyde, 98%; 4-08-00-02719 (Beilstein Handbook Reference); 3,4,5,-trimethoxy benzaldehyde; DB-056953; M-3932; ST088220; CCG-231504; InChI=1/C10H12O4/c1-12-8-4-7(6-11)5-9(13-2)10(8)14-3/h4-6H,1-3H; 3,4,5 trimethoxybenzaldehyde; LS10216; AJ-35979; MFCD00003364; OPHQOIGEOHXOGX-UHFFFAOYSA-N; AB0007618; 86-81-7; SCHEMBL96635; TL8005630; W-104057; LABOTEST-BB LT00931453; 3,4,5-TRIMETHOXYBENZALDEHYDE; 3,4,5-TRIMETHOXYL BENZALDEHYDE; FT-0082713; BRN 0395163; CTK3J0611; STR03224; SC-07052; ZINC2504375; AC-11732; CJ-08446; OTAVA-BB 7018801952; LS-25170; NSC16692; 3,4,5,-trimethoxybenzaldehyde; WL86YD76N6; BENZALDEHYDE,3,4,5-TRIMETHOXY-; 3,5-Trimethoxybenzaldehyde; BENZALDEHYDE, 3,4,5-TRIMETHOXY; 3,4,5-trimethoxy benzaldehyde; EINECS 201-701-6; ACMC-209qbj; AS02877; STK498479; 3,4,5-Trimethoxybenzaldehyde, purum, >=98.0% (HPLC); SBB016338; MCULE-4313260384; CT0104; A841837; TRA0091886; AN-42358 |
C10H12O4 |
196.2 g/mol |
COC1=CC(=CC(=C1OC)OC)C=O |
|
TCMBANKIN061786 |
elemicine |
el-emicine，Elemicine; elemicin ; Elemicin; Benzene, 5-(2-propenyl)-1,2,3-trimethoxy; AX8052814; CJ-04512; C10451; V6154; KS-00000EX2; TC-307841; 4-allyl-1,2,6-trimethoxybenzene; CHEBI:4771; KB-85683; 5-Allyl-1,2,3-trimethoxybenzene; 1,2,3-Trimethoxy-5-allylbenzene; NSC16704; K-9190; BRN 1912664; TRA0018883; 5-(Prop-2-en-1-yl)-1,2,3-trimethoxybenzene; 1,2,3-Trimethoxy-5-allylbenzene (elemicin); SCHEMBL68542; EINECS 207-649-0; CTK4J0963; 5'-metoxy eugenol; ZB015169; ST24044297; AKOS015896443; CCRIS 6783; Benzene, 1,2,3-trimethoxy-5-(2-propenyl)-; 10005-761a; 1,2,3-Trimethoxy-5-(2-propenyl)-benzene; 1,2,3-trimethoxy-5-(prop-2-en-1-yl)benzene; Benzene,1,2,3-trimethoxy-5-(2-propen-1-yl)-; A827594; 1,2,3-Trimethoxy-5-[2-propenyl]-benzene; I06-1928; 1,2,3-Trimethoxy-5-(2-propenyl)benzene; DTXSID60197586; ZINC899845; 3,4,5-Trimethoxyallylbenzene; MFCD01656688; BPLQKQKXWHCZSS-UHFFFAOYSA-N; AI3-20815; AN-843; CHEMBL458690; 487A116; OR40002; 487-11-6; 5-allyl-1,2,3-trimethoxybenzene; AK116942; ZX-AT003475; Benzene, 1,2,3-trimethoxy-5-(2-propenyl)- (9CI); J-520432; NSC-16704; MolPort-003-824-417; 3,4, 5-Trimethoxyallylbenzene; RP26424; LS-29056; 5-allyl-1,2,3-trimethoxy-benzene; HSZ191AKAN; AC1L1USQ; 4-allyl-1,2,6-trimethoxy benzene; 1,2,3-Trimethoxy-5-(2-propenyl)benzene, 9CI; NSC 16704; AJ-24292; Benzene,2,3-trimethoxy-5-(2-propenyl)-; SY018605; 1,2,3-trimethoxy-5-prop-2-enyl-benzene; 1,2,3-trimethoxy-5-prop-2-enylbenzene; FT-0652063; ST51053296; Benzene, 5-allyl-1,2,3-trimethoxy-; BENZENE, 5-ALLYL-1,2,3-TRIMETHOXY-; DB-081347; 3,5-Trimethoxyallylbenzene; PS-4970; UNII-HSZ191AKAN; 3-(3,4,5-Trimethoxyphenyl)-1-propene; 4-06-00-07478 (Beilstein Handbook Reference) |
C12H16O3 |
208.25 g/mol |
COC1=CC(=CC(=C1OC)OC)CC=C |
|
TCMBANKIN061902 |
dambonitol |
dambonite |
C8H16O6 |
208.21 |
COC1C(C(C(C(C1O)OC)O)O)O |
|
TCMBANKIN061924 |
jioglutin B |
jioglutin b; jioglutin A; jioglutin a |
|
250.7 |
COC1CC2C3C(O1)OCC3(C(C2O)Cl)O |
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Dai SX Lab