|
TCMBANKIN000097 |
nitidine |
I14-18057; CHEMBL176008; 6872-57-7; 933301178Z; NCI60_000995; CTK5C8373; CHEBI:7578; FT-0686666; ZINC898732; SCHEMBL8014101; C09595; AK608233; 2,3-Dimethoxy-12-methyl-9H-phenanthridino[4',3'-2,1]benzo[4,5-d]1,3-dioxolane; N2626; 16,17-DIMETHOXY-21-METHYL-5,7-DIOXA-21-AZAPENTACYCLO[11.8.0.0(2),(1)?.0?,?.0(1)?,(1)?]HENICOSA-1(13),2(10),3,8,11,14(19),15,17,20-NONAEN-21-IUM; Nitidine; Nitidine chloride; AKOS015904022; NCIMech_000542; (1,3)Benzodioxolo(5,6-c)phenanthridinium, 2,3-dimethoxy-12-methyl-; 13063-04-2 (CHLORIDE); Ambap13063-04-2; AJ-24283; AC1L1IB4; broussopapyrine A; UNII-933301178Z; ZB015155; CCG-35985; DTXSID60218846; [1,3]Dioxolo[4',5':4,5]benzo[1,2-c]phenanthridinium,2,3-dimethoxy-12-methyl-; AC1Q701O; 2,3-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium; Neuro_000081; BDBM50017566 |
C21H18NO4+ |
348.4 g/mol |
C[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC5=C(C=C4C=C3)OCO5)OC)OC |
|
TCMBANKIN000962 |
campesterol |
campesterol ; FT-0082089; Augelicincampesterol; (24R)-5-Ergosten-3; (1R,3AS,3BR,9AS,9BS,11AR)-1-[(2R,5R)-5,6-DIMETHYLHEPTAN-2-YL]-9A,11A-DIMETHYL-1H,2H,3H,3AH,3BH,4H,5H,5AH,6H,9H,9BH,10H,11H-CYCLOPENTA[A]PHENANTHREN-7-OL; A-ol; 24(R)-Ergost-5-en-3beta-ol; 24alpha-Methyl-5-cholesten-3beta-ol; AK307302; SC-66911; (8R,9S,10S,13R,14S,17R)-17-((2R,5R)-5,6-Dimethylheptan-2-yl)-10,13-dimethyl-4,5,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol; AKOS027320474; MFCD00010475; Campesterin; MolPort-035-882-175 |
C28H48O |
400.68 |
CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C |
|
TCMBANKIN002253 |
5,7,2',5'-tetrahydroxyflavone7-o-β-d-glucuronopyranoside |
|
C21H18O12 |
|
|
|
TCMBANKIN002498 |
Dihydrobaicalin_qt |
|
|
272.27 |
|
|
TCMBANKIN002765 |
osladin |
|
C45H74O17 |
887.1 g/mol |
CC1CCC(OC1OC2C(C(C(C(O2)C)O)O)O)C(C)C3CCC4C3(CCC5C4CC(=O)C6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)O)OC8C(C(C(C(O8)C)O)O)O)C)C |
|
TCMBANKIN003193 |
ent-Epicatechin |
AIDS026330; AIDS-026330; (2S,3S)-2-(3,4-dihydroxyphenyl)chroman-3,5,7-triol; (+)-Epicatechin; 35323-91-2; C09728; 2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2S-cis)-; ZINC00119978 |
C15H14O6 |
290.27 |
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O |
|
TCMBANKIN003706 |
2,6,2',6'-tetramethoxy-4,4'-bis(2,3-epoxy-1-hydroxypropyl)biphenyl |
|
C22H26O8 |
418.4 g/mol |
COC1=CC(=CC(=C1C2=C(C=C(C=C2OC)C(C3CO3)O)OC)OC)C(C4CO4)O |
|
TCMBANKIN004218 |
(1S,4S)-7-isopropylidene-1,4-dimethyl-2,3,4,5,6,8-hexahydro-1H-azulene |
(1S,4S)-1,4-dimethyl-7-propan-2-ylidene-2,3,4,5,6,8-hexahydro-1H-azulene |
C15H24 |
204.35 |
|
|
TCMBANKIN004463 |
3,5,7,2',6'-pentahydroxy flavonol |
|
C15H12O8 |
320.25 g/mol |
C1=CC(=C(C(=C1)O)C2C(C(=O)C3=C(C=C(C=C3O2)O)O)(O)O)O |
|
TCMBANKIN004578 |
7,3',4'-Trihydroxyflavone |
BRN 0253031; CHEMBL301624; AK112316; 4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-7-hydroxy-; 3',4',7-Trihydroxyflavone; LMPK12110042; DTXSID30175836; Q-100553; MolPort-004-955-148; 2-(3,4-Dihydroxy-phenyl)-7-hydroxy-chromen-4-one; trihydroxyflavone, 3',4',7-(rg); AJ-55730; 2-(3,4-dihydroxyphenyl)-7-hydroxy-4H-chromen-4-one; ZINC6092199; 5-18-04-00590 (Beilstein Handbook Reference); ZINC00057766; AX8110111; 3',4',7-Trihydroxyflavon; 2-(3,4-dihydroxyphenyl)-7-hydroxy-4-chromenone; 15Z; trihydroxyflavone, 7,3',4'-; 4CN-2593; 7, 3',4'-Trihydroxyflavone; FT-0634068; 7,3',4'-trihydroxyflavone; Flavone, 7,3',4'-trihydroxy-; BDBM50077325; D0YJ3Q; 3',4',7- TRIHYDROXY FLAVONE; 2-(3,4-dihydroxyphenyl)-7-hydroxychromen-4-one; 2-(3,4-dihydroxyphenyl)-7-hydroxy-chromen-4-one; 104666-14-0; 7,3'',4''-Trihydroxyflavone; KB-221430; 0937AB; LS-39609; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-hydroxy-; DB-045596; 2-(3,4-dihydroxyphenyl)-7-hydroxy-chromone; 4hlf; MCULE-1703428892; 3'',4'',7-trihydroxyflavon; AC1NT15U; MFCD00017434; 2-(3,4-dihydroxyphenyl)-7-hydroxy-4h-1-benzopyran-4-on; 2150-11-0; C-57753; PVFGJHYLIHMCQD-UHFFFAOYSA-N; ST24039238; AKOS016009456; SCHEMBL34405; 2-(3,4-Dihydroxyphenyl)-7-hydroxy-4H-1-benzopyran-4-one; ST056259; 7,3/',4/'-Trihydroxyflavone; CTK4E6984; 3',4',7 - Trihydroxyflavone |
C15H10O5 |
270.24 |
C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C=C(C=C3)O)O)O |
|
TCMBANKIN006962 |
3β,16α,21β,22α,28-penahydroxyolean-12-ene-28-O-β-D-xylopyranoside |
|
|
636.91 |
|
|
TCMBANKIN007562 |
1-(4-hydroxy-3-methoxyphenyl)-3,5-octane-diol |
1-(4-hydroxy-3-methoxyphenyl)octane-3,5-diol; AC1NSWME |
C15H24O4 |
|
CCCC(CC(CCC1=CC(=C(C=C1)O)OC)O)O |
|
TCMBANKIN008330 |
5,8,4'-trihydroxy-7-methoxyisoflavone |
|
|
|
|
|
TCMBANKIN008661 |
HEXATRIACONTANE |
630-06-8; Hexatriacontane; 442680_SUPELCO; AI3-52389; NSC407536; EINECS 211-127-8; 2040-92-8; n-Hexatriacontane; H12552_ALDRICH; 52920_FLUKA; 52919_FLUKA; NSC 407536 |
C36H74 |
506.97 |
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC |
|
TCMBANKIN008887 |
d-isomenthone |
EINECS 214-813-5; (2R,5R)-2-isopropyl-5-methyl-1-cyclohexanone; Cyclohexanone, 5-methyl-2-(1-methylethyl)-, (2R-cis)-; (2R,5R)-5-methyl-2-propan-2-yl-cyclohexan-1-one; (2R,5R)-2-isopropyl-5-methylcyclohexanone; 18309-28-9; 1196-31-2; (2R,5R)-2-isopropyl-5-methyl-cyclohexan-1-one; (2R-cis)-5-methyl-2-(1-methylethyl)cyclohexanone; ZINC03860577; (+)-Isomenthone; (1R,4R)-p-menthan-3-one; EINECS 242-194-1; C11952; LMPR01020096; (2R,5R)-5-methyl-2-propan-2-ylcyclohexan-1-one; (2R,5R)-5-methyl-2-(propan-2-yl)cyclohexanone; CHEBI:36492; (2S-cis)-2-(Isopropyl)-5-methylcyclohexan-1-one |
C10H18O |
154.25 |
CC1CCC(C(=O)C1)C(C)C |
|
TCMBANKIN009333 |
1,8-dihydroxy-4-hydroxymethyl anthraquinone |
|
C15H10O5 |
270.24 g/mol |
C1=CC2=C(C(=C1)O)C(=O)C3=C(C=CC(=C3C2=O)CO)O |
|
TCMBANKIN009592 |
Salvigenin |
BG01616899; DTXSID90172629; 19103-54-9; 5-Hydroxy-6,7-dimethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one; 5-Hydroxy-6,7,4'-trimethoxyflavone; BDBM50092613; LMPK12111166; 4CN-1814; flavone, 5-hydroxy-4',6,7-trimethoxy-; AKOS032948589; ZINC2561268; 5-Hydroxy-6,7-dimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one; 7-O-methylpectolinarigenin; 4H-1-Benzopyran-4-one,5-hydroxy-6,7-dimethoxy-2-(4-methoxyphenyl)-; SCHEMBL1427018; psathyrotin; QCDYOIZVELGOLZ-UHFFFAOYSA-N; J-012342; AC1L4P44; 4H-1-Benzopyran-4-one, 5-hydroxy-6,7-dimethoxy-2-(4-methoxyphenyl)-; salvigenin; 5-hydroxy-6,7-dimethoxy-2-(4-methoxyphenyl)chromone; 5-hydroxy-4',6,7-trimethoxyflavone; AC1Q6AII; 4H-1-Bbenzopyran-4-one, 5-hydroxy-6,7-dimethoxy-2-(4-methoxyphenyl)-; MolPort-035-705-973; 5-hydroxy-6,7-dimethoxy-2-(4-methoxyphenyl)-4-chromenone; CTK4E0570; CHEMBL376644; 5-hydroxy-6,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one; W1622 |
C18H16O6 |
328.32 |
COC1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)O |
|
TCMBANKIN010282 |
MEHQ |
1-Hydroxy-4-methoxybenzene; p-Guaiacol; Novo-Dermoquinona; EINECS 205-769-8; WLN: QR DO1; Mequinol [DCF:INN]; p-Methoxyphenol; Leucobasal; 4-Hydroxyphenol, polymer-bound; Hydroquinone monomethyl ether; PHENOL,4-METHOXY; Phenol, 4-methoxy-; Mono methyl ether hydroquinone; 4-Methoxyphenol; Mequinol (USAN); InChI=1/C7H8O2/c1-9-7-4-2-6(8)3-5-7/h2-5,8H,1H; M18655_ALDRICH; HQMME; Mequinol; CCRIS 5531; Mequinolum [INN-Latin]; Monomethyl ether hydroquinone; Mechinolo [DCIT]; 54050_FLUKA; 650382_ALDRICH; HSDB 4258; 4-Hydroxyanisole; NSC 4960; Mechinolum; p-Hydroxyanisole; Leucodine B; AI3-00841; NCGC00091390-01; PMF (antioxidant); p-Hydroxymethoxybenzene; Usaf an-7; 150-76-5; SB 01123; BMS 181158; ZINC00001684; NSC4960; NCI60_004190; D04926; Hydroquinone methyl ether; Phenol, p-methoxy-; NCIMech_000709 |
C7H8O2 |
124.14 |
COC1=CC=C(C=C1)O |
|
TCMBANKIN010903 |
(S)-Matsutake alcohol |
ZINC02026960; (S)-1-Octen-3-ol; (S)-oct-1-en-3-ol; (3S)-oct-1-en-3-ol; CHEBI:46735; 3OL; 40577_FLUKA |
C8H16O |
128.21 |
CCCCCC(C=C)O |
|
TCMBANKIN011008 |
1,6-dihydroxy-3,5,7-trimethoxyxanthone |
MolPort-039-338-634; CTK1I3696; 65008-17-5; AKOS030562641; 1,6-DIHYDROXY-3,5,7-TRIMETHOXY-9H-XANTHEN-9-ONE; AC1NSURM; 9H-Xanthen-9-one, 1,6-dihydroxy-3,5,7-trimethoxy-; ZINC14649050; 1,6-Dihydroxy-3,5,7-trimethoxyxanthone; DTXSID40415710; AK594542; 3,8-dihydroxy-2,4,6-trimethoxyxanthone; 1,6-dihydroxy-3,5,7-trimethoxyxanthen-9-one |
C16H14O7 |
318.28 g/mol |
COC1=CC(=C2C(=C1)OC3=C(C(=C(C=C3C2=O)OC)O)OC)O |
|
TCMBANKIN011390 |
Methyl palmitelaidate |
Methyl trans-9-hexadecenoate; (E)-9-Hexadecenoic acid, methyl ester; 76117_FLUKA; 10030-74-7; 9-Hexadecenoic acid, (E), methyl ester; (E)-hexadec-9-enoic acid methyl ester; P0203_SIGMA; Palmitelaidic acid methyl ester; hexadec-9-enoic acid methyl ester; methyl hexadec-9-enoate; methyl (E)-hexadec-9-enoate |
C17H32O2 |
268.43 |
CCCCCCC=CCCCCCCCC(=O)OC |
|
TCMBANKIN012281 |
methyl nonadecanoate |
Nonadecanoic acid methylester; 6583AF; MFCD00009011; 67FQ8VV2L3; AI3-36454; EINECS 217-056-9; RTR-007644; C-28213; UNII-67FQ8VV2L3; 74208_FLUKA; Methyl nonadecanoate, >=98% (GC); DTXSID40169524; CHEBI:87758; CTK3J1974; E(R)(3/4)AIeEa(1/4)xo yen; A25CCD7A-EA11-4124-B88C-A168A5582F47; TR-007644; Methyl nonadecan-1-oate; MolPort-003-938-831; ZINC86046710; nonadecanoic acid methyl ester; Nonadecanoic acid methyl; FT-0633802; SCHEMBL109331; 1731-94-8; N0460; N5377_SIGMA; ANW-22632; J-010888; Nonadecanoic acid,methyl ester; CS-W004262; DB-043929; 1n-Nonadecanoic acid methyl ester; Nonadecanoic acid methyl ester 10 microg/mL in Methanol; Methyl nonadecanoate, analytical standard; methylnonadecanoate; KS-0000171U; METHYL NONADECANOATE; AKOS015903908; CC-30779; I14-18432; Nonadecanoic acid methyl ester; BDXAHSJUDUZLDU-UHFFFAOYSA-N; Methyl nonadecanoate, puriss., >=98.5% (GC); n-Nonadecanoic acid methyl ester; Nonadecanoic acid, methyl ester; TRA0036053; ACMC-209e62; AC1L2696 |
C20H40O2 |
312.53 |
CCCCCCCCCCCCCCCCCCC(=O)OC |
|
TCMBANKIN013111 |
Methyl 9-oxononanoate |
1931-63-1; Nonanoic acid, 9-oxo-, methyl ester; Methyl 8-formyloctanoate; AI3-25458; Methyl azelaaldehydate; NSC53771; Azelaaldehydic acid, methyl ester; 9-ketopelargonic acid methyl ester; Methyl azelaaldehydrate; 9-Oxononanoic acid methyl ester |
C10H18O3 |
186.25 |
COC(=O)CCCCCCCC=O |
|
TCMBANKIN013598 |
Paniculatin |
SCHEMBL4742129; paniculatin; LMPK12050162 |
C27H30O15 |
594.5 g/mol |
C1=CC(=CC=C1C2=COC3=C(C(=C(C(=C3C2=O)O)C4C(C(C(C(O4)CO)O)O)O)O)C5C(C(C(C(O5)CO)O)O)O)O |
|
TCMBANKIN014313 |
13-Tetradecenyl acetate |
tetradec-13-enyl ethanoate; acetic acid tetradec-13-enyl ester; tetradec-13-enyl acetate; 13-Tetradecen-1-ol acetate |
C16H30O2 |
254.41 |
CC(=O)OCCCCCCCCCCCCC=C |
|
TCMBANKIN014618 |
Campesteryl ferulate |
campesteryl ferulate |
C38H56O4 |
576.85 |
CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C=CC5=CC(=C(C=C5)O)OC)C)C |
|
TCMBANKIN014670 |
11,13-Eicosadienoic acid, methyl ester |
methyl (11E,13E)-icosa-11,13-dienoate; 11,13-eicosadienoic acid,methyl ester; Methyl (11E,13E)-11,13-icosadienoate; (11E,13E)-icosa-11,13-dienoic acid methyl ester |
C21H38O2 |
322.5 g/mol |
CCCCCCC=CC=CCCCCCCCCCC(=O)OC |
|
TCMBANKIN014697 |
undecanal |
Undecylic aldehyde; U592; n-Undecanal; 2-Undecenal, (2E)-; ZINC1849946; C11 aldehyde; Undecanone, alpha-; AN-20835; KB-176726; FNP3S9MG30; (2E)-undec-2-enal; Undecanal; Undecyl aldehyde; 2463-77-6; U0046; Hendecanaldehyde; Undec-2(E)-enal; trans-2-Undecenal, >=95%, FG; NSC22578; trans-2-Undecen-1-al; UNII-F851M0LYFD component PANBRUWVURLWGY-MDZDMXLPSA-N; n-Undecyl aldehyde; A817413; W309206_ALDRICH; AI3-05098; 53448-07-0; Hendecanal; Aldehyde C-11; 2-Undecenal, trans; MFCD00014680; (E)-Undec-2-enal; RT-004549; AC1NR23M; Undecylaldehyde; UNII-FNP3S9MG30; 1-Undecanal; CHEMBL451328; 2-UNDECENAL; 112-44-7; EINECS 219-564-6; U2202_ALDRICH; RT-001337; C-11 Aldehyde, undecylic; ACM2463776; AI3-36265; Hendecenal; EINECS 203-972-6; FEMA 3423; 2(E)-Undecenal; AN-22318; BRN 1753213; NSC 22578; 2-UNDECENAL (HIGH TRANS); trans-undec-2-enal; EINECS 258-559-3; trans-2-Undecenal; PANBRUWVURLWGY-MDZDMXLPSA-N; CHEBI:132843; UNA; DTXSID9062437; AKOS015901935; WLN: VH10; Undecanal (natural); LMFA06000064; EINECS 215-656-5; UNII-090E982ABR component PANBRUWVURLWGY-MDZDMXLPSA-N; Aldehyde iso C-11; (2E)-UNDEC-2-ENOYL; (e)-2-undecen-1-al; FEMA No. 3092; ZINC585138973; 2-Undecenal, (E)-; (E)-2-undecenal; Undecanaldehyde; 2-Undecenal, E-; (2E)-2-Undecenal; AN-40765; I14-13669; Aldehyde C-11, undecylic; 2-Undecen-1-al; FEMA No. 3423; LMFA06000065 |
C11H22O |
170.29 |
CCCCCCCCCCC=O |
|
TCMBANKIN014903 |
5,8,2'-Trihydroxy-7-methoxyflavone |
5,8-dihydroxy-2-(2-hydroxyphenyl)-7-methoxy-4-chromenone; 5,8-dihydroxy-2-(2-hydroxyphenyl)-7-methoxy-chromen-4-one; LMPK12111302; AC1L4H6K; 77056-20-3; 5,8,2'-trihydroxy-7-methoxyflavone; 5,8-dihydroxy-2-(2-hydroxyphenyl)-7-methoxychromen-4-one; DTXSID20227853; 4H-1-Benzopyran-4-one, 5,8-dihydroxy-2-(2-hydroxyphenyl)-7-methoxy-; 5,8-dihydroxy-2-(2-hydroxyphenyl)-7-methoxy-chromone |
C16H12O6 |
300.26 |
COC1=C(C2=C(C(=C1)O)C(=O)C=C(O2)C3=CC=CC=C3O)O |
|
TCMBANKIN015154 |
glycerol sinapate |
Glycerol trisinapate; AC1NSVZC; Glycerol tris[3-(4-hydroxy-3,5-dimethoxyphenyl)propenoate]; 1,3-bis({[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy})propan-2-yl (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate; Tri-O-sinapoylglycerol; 2,3-bis[[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy]propyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate |
C14H18O7 |
298.29 g/mol |
COC1=CC(=CC(=C1O)OC)C=CC(=O)OCC(CO)O |
|
TCMBANKIN015234 |
Eriodyctiol (flavanone) |
(2R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-4-one; ZINC00058116; (2R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-chromanone; (2R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychroman-4-one; 4049-38-1; NCI60_017216; NSC649412 |
C15H12O6 |
288.25 |
C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)O)O |
|
TCMBANKIN015326 |
3,8-menthadiene |
|
|
136.26 |
|
|
TCMBANKIN015604 |
s-methyl mercapto-l-cysteine |
|
C4H9NO2S2 |
167.3 g/mol |
CSCC(C(=O)O)NS |
|
TCMBANKIN015891 |
5,7,2'-trihydroxy-6-methyl-3-(3',4'-methylene-dioxybenzyl)chromone |
|
C18H14O7 |
|
CC1=C(C=C2C(=C1O)C(=O)C(=CO2)CC3=C(C4=C(C=C3)OCO4)O)O |
|
TCMBANKIN016632 |
8-methoxy-5-o-glucoside flavone |
8-methoxy-2-phenyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one; AC1NSY3A |
|
|
COC1=C2C(=C(C=C1)OC3C(C(C(C(O3)CO)O)O)O)C(=O)C=C(O2)C4=CC=CC=C4 |
|
TCMBANKIN016775 |
eriodictyol-7,3-diglucoside |
2-(3,4-Dihydroxyphenyl)-3-(beta-D-glucopyranosyloxy)-5-hydroxy-7-(beta-D-glucopyranosyloxy)-2,3-dihydro-4H-1-benzopyran-4-one; AC1NSV7H; 2-(3,4-dihydroxyphenyl)-5-hydroxy-3,7-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-2,3-dihydrochromen-4-one |
C27H32O17 |
628.5 g/mol |
C1=CC(=C(C=C1C2C(C(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O)O |
|
TCMBANKIN017564 |
methyl (E)-octadec-2-enoate |
Methyl (2E)-2-octadecenoate; (E)-octadec-2-enoic acid methyl ester; 27234-05-5; 2-Octadecenoic acid, methyl ester |
C19H36O2 |
296.5 g/mol |
CCCCCCCCCCCCCCCC=CC(=O)OC |
|
TCMBANKIN017889 |
(2R)-7-hydroxy-5-methoxy-2-phenylchroman-4-one |
ZINC00338038; (2R)-7-hydroxy-5-methoxy-2-phenyl-4-chromanone; (2R)-7-hydroxy-5-methoxy-2-phenyl-chroman-4-one |
C16H14O4 |
270.28 |
|
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TCMBANKIN019315 |
5,7,3 ', 4'-tetrahydroxy-6,8-isopentenyl isoflavones |
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TCMBANKIN020140 |
3,5,7,2',6'-pentahydroxy flavanonol |
|
C15H12O7 |
|
COC1=CC(=C2C(=C1)OC3=CC(=C(C(=C3C2=O)O)OC)O)O |
|
TCMBANKIN020464 |
3alpha-dihydroxyursen-12-en-28-oate |
|
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TCMBANKIN020832 |
Dihydrobaicalin |
(2S)-5,6-Dihydroxy-7-(beta-D-glucurono pyranosyloxy)flavanone; dihydrobaicalin; BDBM50250625; CHEMBL467197 |
C21H20O11 |
448.4 g/mol |
C1C(OC2=CC(=C(C(=C2C1=O)O)O)OC3C(C(C(C(O3)C(=O)O)O)O)O)C4=CC=CC=C4 |
|
TCMBANKIN021120 |
2,7-dihydroxy-4-methoxy- |
|
|
402.43 |
|
|
TCMBANKIN021599 |
9-Cedranone |
9-cedranone |
C15H24O |
220.35 |
|
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TCMBANKIN022128 |
6-methoxy group-7-hydroxy Coumarin |
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TCMBANKIN022529 |
isoscutellarein |
DTXSID20415172; 5,7,8-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one; CTK4I4833; 5,7,8-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one; SCHEMBL476215; Isoscutellarein; 8-Hydroxyapigenin; 41440-05-5; AC1NQYUJ; CHEBI:6059; LMPK12111361; CHEMBL1093284; 4',5,7,8-Tetrahydroxyflavone; C10097 |
C15H10O6 |
286.24 g/mol |
C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)O)O |
|
TCMBANKIN022980 |
caprylic acid |
Octanoic acid (mixed isomers); AK405365; octoic acid; Sodium octanoate, 96%; Natrium octanoat; D05220; NoO notEa AAENI; W279927_ALDRICH; Sodium caprylate [NF]; KB-80641; ACMC-1BO0W; MCULE-8227046407; AIDS-006110; Caprylsaeure; V0353; Octylic acid; Enantic acid; Caprylic acid sodium salt; Sodium n-octanoate; Sodium octoate; Octanoic acid sodium salt; 68937-74-6; MolPort-006-113-836; EINECS 273-085-7; C-8 acid; 21639_FLUKA; HSDB 5862; AIDS006110; NCGC00090957-02; 0ctanoic acid; BYKRNSHANADUFY-UHFFFAOYSA-M; Acid C-8; caprylic acid, sodium salt; 124-07-2; Acido octanoico [Spanish]; Sodium octanoate, 96% 100g; Octic acid; 124-07-2 (Parent); W279900_ALDRICH; KS-00000YJH; capryloate; Sodium caprylate: Octanoic acid; NCGC00090957-01; Acide octanoique [French]; Sodium caprylate (NF); O0034; UNII-9XTM81VK2B; LS-98001; 18312-04-4; neo-fat 8; OCTANOIC ACID (CAPRYLIC ACID); SODIUM OCTANOATE; 1-heptanecarboxylic acid; NCIOpen2_009358; LS-691; O3907_ALDRICH; 1984/6/1; CHEBI:132100; MFCD00058511; AN-19785; ANW-13619; NCIOpen2_002902; octanoic acid; C2875_SIGMA; I14-14709; TR-009215; Caprylic acid (natural); NSC 5024; CHEBI:28837; Octanoic acid [USAN:INN]; LMFA01010008; n-octylic acid; TRA-0206488; Fatty acids, C6-1O; FEMA No. 2799; BRN 1747180; 4-02-00-00982 (Beilstein Handbook Reference); 9XTM81VK2B; EINECS 204-677-5; CHEMBL557076; Octanoic acid, sodium salt; EINECS 217-850-5; ST51037190; KSC490S9T; caprylic acid ; NSC5024; AI3-50473; SCHEMBL56211; Sodium Salt of Caprylic Acid; Octanoic acid (USAN); Hexacid 898; CH3-[CH2]6-COOH; Sodium caprylate; Sodium caprylate [USAN]; RTR-009215; 27633_RIEDEL; Kaprylsaeure; C06423; Fatty acids, C6-10; caprylicacid; Acidum octanocium [Latin]; HSDB 821; AI3-04162; Kyselina kaprylova [Czech]; n-octanoic acid; FT-0701289; n-caprylic acid; AS-17478; CCRIS 4689; PubChem12870; 21650_FLUKA; n-Octoic acid; W-109735; CTK3J0999; AKOS015901906; OCA; Octansaeure; SC-79959; n-Octanoic Acid Sodium Salt; WLN: QV7; CPD-195; Octanoic acid, sodium salt (1:1); DTXSID3027451; D08999 |
C8H16O2 |
144.21 g/mol |
CCCCCCCC(=O)O |
|
TCMBANKIN023615 |
5-hydroxy-7-methoxy-2-(3,4,5-trimethoxyphenyl)chromone |
5-hydroxy-7-methoxy-2-(3,4,5-trimethoxyphenyl)-4-chromenone; 5-hydroxy-7-methoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one |
C19H18O7 |
358.34 |
|
|
TCMBANKIN023699 |
glucoraphanin |
4-methylsulfinylbutyl glucosinolate; Glucorafanin; 4-(methylsulfinyl)butyl-glucosinolate; 4-(methylsulfinyl)butyl glucosinolate |
C12H23NO10S3 |
437.5 g/mol |
CS(=O)CCCCC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O |
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TCMBANKIN024986 |
phenylbutanone-glucoside |
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CC(=O)CCC1=CC=C(C=C1)OC2C(C(C(C(O2)CO)O)O)O |
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TCMBANKIN027078 |
gluocsamin |
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TCMBANKIN027992 |
eriodictyol |
Eriodictyol; (2S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-chromanone; 552-58-9; CHEBI:28412; (2S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydro-4H-chromen-4-one; C05631; (S)-3',4',5,7-Tetrahydroxyflavanone; 74565_FLUKA; eriodictyol ; ERD; (2S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychroman-4-one; ZINC00058117; (2S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-4-one |
C15H12O6 |
288.25 |
C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)O)O |
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TCMBANKIN028421 |
5,7-dihydroxy-6,8-dime thyl-3-(4'-hydroxy-3'-methoxybenzyl)chroman-4-one |
|
C19H20O6 |
344.4 g/mol |
CC1=C(C(=C2C(=C1O)C(=O)C(CO2)CC3=CC(=C(C=C3)O)OC)C)O |
|
TCMBANKIN028660 |
suffruticoside a |
Suffruticoside A |
C27H32O16 |
612.5 g/mol |
CC(=O)C1=C(C=C(C=C1)OC)OC2C(C(C(C(O2)COC3C(C(CO3)(COC(=O)C4=CC(=C(C(=C4)O)O)O)O)O)O)O)O |
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TCMBANKIN029094 |
5,7,2'-trihydroxyflavone2'-o-β-d-glucopyranoside |
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C21H20O10 |
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TCMBANKIN030322 |
biotin |
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C10H16N2O3S |
244.31 g/mol |
C1C2C(C(S1)CCCCC(=O)O)NC(=O)N2 |
|
TCMBANKIN030900 |
2,6,2',4'-tetrahydroxy-6'-methoxychaleone |
|
|
302.3 |
|
|
TCMBANKIN031084 |
Methyl montanate |
octacosanoic acid methyl ester; Octacosanoic acid, methyl ester; METHYL OCTACOSANOATE; ZKHOYAKAFALNQD-UHFFFAOYSA-N; Methyl octacosanoate, analytical standard; methyl montanate; I14-19169; Octacosanoic acid,methyl ester; UNII-82S906Z1UB; Montanic acid, methyl ester; montanic acid methyl ester; 74701_FLUKA; AKOS015903301; Octacosanoic acid methyl ester (FAME MIX); C-48195; EINECS 259-754-6; 82S906Z1UB; TR-019630; Octacosanoic acid methyl ester; octacosanoicacidmethylester; ZINC85530556; CTK5A4000; SCHEMBL2349831; AC1L25X7; MFCD00042896; DTXSID60204204; 29684D9A-0749-4587-9B65-AA00AE9C4FC6; FT-0725009; 55682-92-3 |
C29H58O2 |
438.77 |
CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC |
|
TCMBANKIN031123 |
METHYL HEXACOSANOATE |
52203_FLUKA; hexacosanoic acid methyl ester; EINECS 227-355-6; 5802-82-4; cerotic acid methyl ester; H6389_SIGMA; Hexacosanoic acid, methyl ester |
C27H54O2 |
410.72 |
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC |
|
TCMBANKIN031928 |
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-2-[2-(3-hydroxy-4-methoxy-phenyl)ethoxy]-6-methylol-tetrahydropyran-4-yl]oxy-6-methyl-tetrahydropyran-3,4,5-triol |
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-2-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-6-(hydroxymethyl)oxan-4-yl]oxy-6-methyloxane-3,4,5-triol; (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-2-[2-(3-hydroxy-4-methoxy-phenyl)ethoxy]-6-(hydroxymethyl)tetrahydropyran-4-yl]oxy-6-methyl-tetrahydropyran-3,4,5-triol; (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-2-[2-(3-hydroxy-4-methoxy-phenyl)ethoxy]-6-(hydroxymethyl)oxan-4-yl]oxy-6-methyl-oxane-3,4,5-triol; (2S,3R,4R,5R,6S)-2-[[(2R,3R,4S,5R,6R)-3,5-dihydroxy-2-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-6-(hydroxymethyl)-4-tetrahydropyranyl]oxy]-6-methyltetrahydropyran-3,4,5-triol |
C19H28O11 |
432.42 |
|
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TCMBANKIN032222 |
woodorien |
A-d-glucopyranosyloxy)-4-hydroxybenzoate; Woodorien; 155112-92-8; Benzoic acid, 3-(beta-D-glucopyranosyloxy)-4-hydroxy-, methyl ester; AC1L4URU; AC1Q5ZJK; methyl 3-(; Methyl 3-(beta-D-glucopyranosyloxy)-4-hydroxybenzoate; METHYL 4-HYDROXY-3-{[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}BENZOATE; methyl 4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate |
C14H18O9 |
330.29 g/mol |
COC(=O)C1=CC(=C(C=C1)O)OC2C(C(C(C(O2)CO)O)O)O |
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TCMBANKIN032347 |
4,5,6-trihydroxy-aurone |
SCHEMBL13090724; AC1NT14R; 4, 5, 6-trihydroxy-aurone; (2Z)-2-benzylidene-4,5,6-trihydroxy-1-benzofuran-3-one |
C15H10O5 |
270.24 g/mol |
C1=CC=C(C=C1)C=C2C(=O)C3=C(O2)C=C(C(=C3O)O)O |
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TCMBANKIN033293 |
4-hydroxyxanthone |
|
C13H8O3 |
212.2 g/mol |
C1=CC=C2C(=C1)C(=O)C3=C(O2)C(=CC=C3)O |
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TCMBANKIN033338 |
ervadivaricatine a |
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C43H56N4O5 |
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CCC1CN(C2CC3=C(C(CC1C2C(=O)OC)C4=C(C=C5C6=C(CC7C(C8CC(C8CC(=O)OC)N7CC6)CC)NC5=C4)OC)NC9=CC=CC=C39)C |
|
TCMBANKIN034292 |
darendoside B_qt |
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C21H32O12 |
476.47 |
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TCMBANKIN034877 |
TETRATETRACONTANE |
88143_FLUKA; n-Tetratetracontane; 442709_SUPELCO; 48598_SUPELCO; NSC 102262; Tetratetracontane; NSC102262; 7098-22-8; 88144_FLUKA; 358746_ALDRICH; EINECS 230-407-0; AI3-36493 |
C44H90 |
619.19 |
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC |
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TCMBANKIN035257 |
bis[(2S)-2-ethylhexyl] benzene-1,2-dicarboxylate |
benzene-1,2-dicarboxylic acid bis[(2S)-2-ethylhexyl] ester; ZINC03860433 |
C24H38O4 |
390.56 |
|
|
TCMBANKIN035943 |
Methyl linolelaidate |
9,12-Octadecadienoic acid, methyl ester, (E,E)-; 9,12-OCTADECADIENOIC ACID (Z,Z)-, METHYL ESTER, HYDROPEROXIDE; 62155_FLUKA; EINECS 219-901-7; Methyl (9E,12E)-9,12-octadecadienoate; 9,12-Octadecadienoic acid (9Z,12Z)-, methyl ester, hydroperoxide; 11068-03-4; 2462-85-3; Methyl octadeca-9,12-dienoate; Methyl linoleate hydroperoxide; Methyl (9E,12E)-octadeca-9,12-dienoate; EINECS 219-560-4; AI3-36451; Linolelaidic acid, methyl ester; Methyl trans,trans-9,12-octadecadienoate; L2251_SIGMA; 2566-97-4; (9E,12E)-octadeca-9,12-dienoic acid methyl ester; octadeca-9,12-dienoic acid methyl ester; Methyllinolelaidate; Linolelaidic acid methyl ester |
C19H34O2 |
294.47 |
CCCCCC=CCC=CCCCCCCCC(=O)OC |
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TCMBANKIN036312 |
20-Hexadecanoylingenol |
20-hexadecanoylingenol |
C36H58O6 |
586.94 |
CCCCCCCCCCCCCCCC(=O)OCC1=CC2C3C(C3(C)C)CC(C4(C2=O)C=C(C(C4(C1O)O)O)C)C |
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TCMBANKIN036401 |
glucobrassicin-1-sulzonate |
CHEBI:79365; sulfoglucobrassicin(1-); 1-S-[2-(1-sulfo-1H-indol-3-yl)-N-(sulfonatooxy)ethanimidoyl]-1-thio-beta-D-glucopyranose |
C16H19N2O12S3- |
527.5 g/mol |
C1=CC=C2C(=C1)C(=CN2S(=O)(=O)O)CC(=NOS(=O)(=O)[O-])SC3C(C(C(C(O3)CO)O)O)O |
|
TCMBANKIN036804 |
acacetin |
Linarigenin; KBio2_000595; AIDS014771; SPECTRUM200499; 480-44-4; Acaceztin; 4'-Methoxy-5,7-dihydroxyflavone; Akatsetin; A827453; KBio1_000878; 5,7-Dioxy-4'-methoxyflavone; Apigenin 4'-dimethyl ether; NSC76061; CHEBI:15335; Prestwick1_000695; Spectrum_000135; 5,7-dihydroxy-2-(4-methoxyphenyl)-4-chromenone; NINDS_000878; 00017_FLUKA; ZINC00005600; Acacetin; AIDS-014771; WLN: T66 BO EVJ CR DO1& GQ IQ; Acacetine; IDI1_000878; Flavone, 5,7-dihydroxy-4'-methoxy- (8CI); 5,7-Dihydroxy-2-(4-methoxyphenyl)-4-benzopyrone; Prestwick0_000695; NSC 76061; Spectrum5_000930; SPBio_002770; CHEBI:57284; KBioSS_000595; Prestwick_49; NCGC00095213-03; BCBcMAP01_000082; NCGC00016458-01; KBio2_003163; BPBio1_000935; Prestwick2_000695; KBio2_005731; ACAETIN; SMP1_000001; Apigenin 4'-methyl ether; DivK1c_000878; 7-hydroxy-2-(4-methoxyphenyl)-4-oxo-1-benzopyran-5-olate; Prestwick3_000695; 5,7-dihydroxy-2-(4-methoxyphenyl)chromone; 5,7-Dihydroxy-4'-methoxyflavone; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-methoxyphenyl)-; 5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one; BRN 0277879; Flavone, 5,7-dihydroxy-4'-methoxy-; 2-(4-methoxyphenyl)-7-oxidanyl-4-oxidanylidene-chromen-5-olate; C01470; CAS-480-44-4; Buddleoflavonol; NCGC00095213-01; Linarisenin; EINECS 207-552-3; 5-18-04-00575 (Beilstein Handbook Reference); NCGC00095213-02; ST066889; BSPBio_000849; Apisenin 4'-methyl ether; acacetin ; 5-hydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-olate; 4'-Methoxyapigenin; 5,7-dihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one |
C16H12O5 |
284.263 |
c1([H])c(OC(c2c([H])c([H])c(OC([H])([H])[H])c([H])c2[H])=C([H])C3=O)c3c(O[H])c([H])c1O[H] |
|
TCMBANKIN036816 |
baicalin |
21967-41-9; STOCK1N-21299; (2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenyl-chromen-7-yl)oxy-3,4,5-trihydroxy-oxane-2-carboxylic acid; (2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenylchromen-7-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid; 5,6,7-Trihydroxyflavone-7-O-.beta.-D-glucopyranosideuronic acid; C10025; Baicalin; AIDS001402; 100647-26-5; 7-D-Glucuronic acid-5,6-dihydroxyflavone; 5,6-dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl beta-D-glucopyranosiduronic acid; 31564-28-0; (2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-keto-2-phenyl-chromen-7-yl)oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid; Baicalein-7-D-glucuronide; TJN-151; CHEBI:2981; (2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenyl-chromen-7-yl)oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid; beta-D-Glucopyranosiduronic acid, 5,6-dihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl; LMPK12111081; baicalin ; 5,6-dihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl beta-D-glucopyranosiduronic acid; Baicalein 7-O-glucuronide; 27462-75-5; Baicalein 7-glucuronide; AIDS-001402; (2S,3S,4S,5R,6S)-6-[(5,6-dihydroxy-4-oxo-2-phenyl-7-chromenyl)oxy]-3,4,5-trihydroxy-2-tetrahydropyrancarboxylic acid; 572667_ALDRICH |
C21H18O11 |
446.36 |
C1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O |
|
TCMBANKIN036834 |
wogonoside |
wogoninoglucuronide; N2501; wogonoside ; (2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-5-(5-hydroxy-8-methoxy-4-oxo-2-phenylchromen-7-yl)-6-oxohexanoic acid; AC-20339; ZINC21992923; Y0212; BG01748878; AKOS015965557 |
C22H20O12 |
476.387 |
[C@]1([H])(O[H])[C@@]([H])(C(=O)O[H])O[C@@]([H])(Oc2c(OC([H])([H])[H])c(OC(c3c([H])c([H])c([H])c([H])c3[H])=C([H])C4=O)c4c(O[H])c2O[H])[C@]([H])(O[H])[C@@]1([H])O[H] |
|
TCMBANKIN036835 |
wogonin |
CTK5B8471; AIDS-001403; CCG-208499; ZB015158; 5,7-dihydroxy-8-methoxyflavone; ZINC899093; 5,7-dihydroxy-8-methoxy-2-phenyl-chromone; BG01576594; AN-46964; 632-85-9; V1530; MCULE-9854289767; 5,7-dihydroxy-8-methoxy-2-phenyl-4-chromenone; Vogonin; AIDS001403; NSC717845; SC-25044; 10-29-7; AC1NQYXJ; 5,7-Dihydroxy-8-methoxy-2-phenyl-chromen-4-one(Wogonin); NCGC00247464-01; IN1943; ZINC111327191; BN0711; 4H-1-Benzopyran-4-one,5,7-dihydroxy-8-methoxy-2-phenyl-; s4743; SR-05000002216-2; Norwogonin 8-methyl ether; 5,7-dihydroxy-8-methoxy-2-phenyl-4H-chromen-4-one; 5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one; HY-N0400; BDBM50140257; MFCD12828871; ST077088; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-8-methoxy-2-phenyl-; DTXSID70212557; 5,7-dihydroxy-8-methoxy-2-phenyl-chromen-4-one; 632W859; MFCD00017736; CHEBI:10043; 5,7-dihydroxy-8-methoxy-2-phenyl-4H-1-benzopyran-4-one; BRN 0287152; Wogonin; N1283; SCHEMBL139083; LMPK12111330; I14-8669; NCI60_040649; HMS2270G08; FT-0603499; wagonin; 5-18-04-00571 (Beilstein Handbook Reference); Q-100730; MolPort-001-742-489; SMR001397111; POK93PO28W; AC-20338; MLS002473006; SR-05000002216; CS-3959; CHEMBL16171; D00MXS; 4CN-1056; wogonin ; AKOS015917860; UNII-POK93PO28W; TR-021802; NSC-717845; C-17890; LS-68974; 5,7-Dihydroxy-8-methoxy-2-phenyl-chromen-4-one; FLAVONE, 5,7-DIHYDROXY-8-METHOXY-; XLTFNNCXVBYBSX-UHFFFAOYSA-N; C10197; GP7400; 5,7-Dihydroxy-8-methoxyflavone |
C16H12O5 |
284.26 |
COC1=C(C=C(C2=C1OC(=CC2=O)C3=CC=CC=C3)O)O |
|
TCMBANKIN036853 |
catalpol |
Catalpol; LMPR01020108; beta-D-Glucopyranoside, 1a,1b,2,5a,6,6a-hexahydro-6-hydroxy-1a-(hydroxymethyl)oxireno(4,5)cyclopenta(1,2-c)pyran-2-yl, (1aS-(1aalpha,1bbeta,2beta,5abeta,6beta,6aalpha))-; 2415-24-9; Catalpinoside; NCGC00163523-01; beta-D-Glucopyranoside, 1a,1b,2,5a,6,6a-hexahydro-6-hydroxy- 1a-(hydroxymethyl)oxireno(4,5)cyclopenta(1,2-c)pyran-2-yl, (1aS-(1a-alpha,1b-beta,2-beta,5a-beta,6-beta,6a-alpha))-; Catalposide, des-p-hydroxybenzoyl-; De(p-hydroxybenzoyl)catalposide; (1AS-(1aalpha,1bbeta,2beta,5abeta,6beta,6aalpha))-1a,1b,2,5a,6,6a-hexahydro-6-hydroxy-1a-(hydroxymethyl)oxireno(4,5)cyclopenta(1,2-c)pyran-2-yl-beta-D-glucopyranoside; C09773; EINECS 219-324-0 |
C15H22O10 |
362.33 |
C1=COC(C2C1C(C3C2(O3)CO)O)OC4C(C(C(C(O4)CO)O)O)O |
|
TCMBANKIN036880 |
diosmin |
520-27-4; C10039; 5-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chromen-4-one; 4H-1-Benzopyran-4-one, 7-((6-O-(6-deoxy-.alpha.-L-mannopyranosyl)-.beta.- D-glucopyranosyl)oxy)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-; Diosmin [INN]; Diosmetin 7-O-rutinoside; AIDS059330; Diosmine [INN-French]; 5-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxymethyl]oxan-2-yl]oxy-chromen-4-one; Diosminum [INN-Latin]; 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-tetrahydropyranyl]oxymethyl]-2-tetrahydropyranyl]oxy]-4-chromenone; AIDS-059330; Diosmin [INN-Spanish]; 4H-1-Benzopyran-4-one, 7-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-; 5-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chromone; CCRIS 7915; SMP1_000183; EINECS 208-289-7; 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one; D3908; diosmin ; Diosmin; STOCK1N-14729 |
C28H32O15 |
608.5 g/mol |
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O |
|
TCMBANKIN036882 |
coptisine |
Y0053; BDBM50030257; C19H14NO4; UNII-0GCL71VN14; AK198733; HSDB 8323; CHEMBL362071; Coptisine sulfate; 6020-18-4 (chloride); DTXSID10188404; XYHOBCMEDLZUMP-UHFFFAOYSA-N; AC1Q701I; Coptisine; alkaloid; C16938; HY-N0430; N1737; Bis[1,3]benzodioxolo[5,6-a:4',5'-g]quinolizinium,6,7-dihydro-; 1198398-71-8; 0GCL71VN14; MEGxp0_001731; N2494; Q-100421; LS-44700; AC1L2HUS; KPT; CHEBI:67862; bis[methylenedioxy]protoberberine; I14-18844; NCI60_000465; 6,7-Dihydro[1,3]dioxolo[4,5-G][1,3]dioxolo[7,8]isoquino[3,2-A]isoquinolin-5-Ium; FT-0689356; FT-0645075; ZINC1709414; 3486-66-6; 7,8,13,13a-Tetradehydro-2,3-9,10-bis(methylenedioxy)berbinium; AKOS015903291; Bis(1,3)benzodioxolo(5,6-a:4',5'-g)quinolizinium, 6,7-dihydro-; Coptisin; SCHEMBL156866; Bis[1,3]benzodioxolo[5,6-a:4',5'-g]quinolizinium, 6,7-dihydro-; 348C666; MolPort-020-005-796 |
C19H14NO4 |
321 |
c12c(OC([H])([H])O1)c([H])c3c(C([H])([H])C([H])([H])N(C([H])=C(C([H])=C(OC([H])([H])O4)C4=C5[H])C5=C6[H])=C36)c2[H] |
|
TCMBANKIN036894 |
scutellarin |
(2S,3S,4S,5R,6S)-6-[[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-7-chromenyl]oxy]-3,4,5-trihydroxy-2-tetrahydropyrancarboxylic acid; CHEBI:61284; 676536-34-8; 1329-06-2; 4H-1-Benzopyran-4-one, 7-(.beta.-D-glucopyranuronosyloxy)-5,6-dihydroxy-2-(4-hydroxyphenyl)-; Flavone, 4',5,6,7-tetrahydroxy-, 7-beta-D-glucopyranuronoside; scutellarin(1-); scutellarein 7-O-beta-D-glucuronate; Scutellarein-7beta-D-glucuronide; AIDS-314104; AIDS314104; 32647-60-2; Scutellarein-7-O-beta-D-glucuronide; Scutellarein-7-glucuronide; Breviscapine; (2S,3S,4S,5R,6S)-6-[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid; 116122-36-2; Breviscapin; MEGxp0_000554; beta-D-Glucopyranosiduronic acid, 5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl; Glucopyranosiduronic acid, 5,6-dihydroxy-2-(p-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl, beta-D-; Scutellarin; Scutellarein-7beta-D-glucuronoside; 27740-01-8; 5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl beta-D-glucopyranosiduronate; (2S,3S,4S,5R,6S)-6-[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-chromen-7-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid; (2S,3S,4S,5R,6S)-6-[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-keto-chromen-7-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid; (2S,3S,4S,5R,6S)-6-[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-chromen-7-yl]oxy-3,4,5-trihydroxy-oxane-2-carboxylic acid |
C21H18O12 |
462.4 g/mol |
C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O)O |
|
TCMBANKIN036901 |
myristic acid |
1-Tridecanecarboxylic acid; Myristinsaeure; CH3-[CH2]12-COOH; 70079_FLUKA; AI3-15381; LMFA01010014; CH3-[CH2]12-COO(-); NCGC00091068-02; Myristic acid-[9,10-3H]; C06424; Emery 655; myristic acid ; NSC 5028; 70082_FLUKA; C14 fatty acid; ST023797; W276405_ALDRICH; CCRIS 4724; Kortacid 1499; 3uev; TUNFSRHWOTWDNC-UHFFFAOYSA-M; Tetradecanoic acid; EINECS 250-924-5; n-Tetradecoic acid; 4-02-00-01126 (Beilstein Handbook Reference); Hydrofol acid 1495; MYR; BRN 0508624; Myristate; Myristic acid (natural); Tetradecanoate; LS-190125; Crodacid; Myristic acid (8CI); EINECS 208-875-2; Prifac 2942; Myristic acid; AIDS002505; tetradecoate; W276413_ALDRICH; FEMA No. 2764; HSDB 5686; Philacid 1400; CHEBI:28875; Edenor C 14; n-tetradecoate; 45184-05-2; myristicacid; tetradecoic acid; n-Tetradecanoic acid; M3128_SIGMA; AIDS-002505; Univol U 316S; Lead dimyristate; AC1N2PSK; NCGC00091068-01; neo-Fat 14; NSC5028; Tetradecanoic acid (9CI); Hystrene 9014; Myristic acid, pure; M4792_SIGMA; CHEBI:30807; n-Tetradecan-1-oic acid; WLN: QV13; 1-tetradecanecarboxylate; 32112-52-0; n-tetradecan-1-oate; 544-63-8 |
C14H28O2 |
228.371 |
C([H])([H])(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(O[H])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H] |
|
TCMBANKIN036917 |
apigenin |
520-36-5; Spectrum2_000428; 10798_FLUKA; Biochem Biophys Res Comm 212: 767 (1997); CCRIS 3789; AIDS001401; apigenin-7-olate; KBioGR_002565; KBio3_002887; BSPBio_000368; 5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one; HSCI1_000221; Flavone, 4',5,7-trihydroxy-; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-; EINECS 208-292-3; A3145_SIGMA; 7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-1-benzopyran-5-olate; CHEBI:18388; IDI1_000798; NCGC00025057-04; AIDS-001401; NSC 83244; BPBio1_000406; Apigenol; 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-chromenone; NINDS_000798; NCGC00015049-02; 4′,5,7-Trihydroxyflavone; SPBio_002307; Prestwick_719; 2-(4-hydroxyphenyl)-7-oxidanyl-4-oxidanylidene-chromen-5-olate; Spectrum4_001999; Chamomile; KBio1_000798; BRN 0262620; Prestwick2_000414; Prestwick3_000414; SDCCGMLS-0066379.P001; CHEBI:58470; 5,7, 4'-trihydroxyflavone; NCGC00025057-02; 2-(p-Hydroxyphenyl)-5,7-dihydroxychromone; 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; APIGENIN; Lopac0_000065; K00045; 4′,5,7-Trihydroxyflavone; 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-benzopyrone; NCGC00025057-09; 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one; ACon1_002450; Oprea1_622293; EU-0100065; nchembio790-comp26; 4',5,7-Trihydroxyflavone; NCGC00025057-08; ND-9076; NCGC00025057-01; MEGxp0_000176; Apigenin; 4',5,7-Trihydroxyflavone; apigenin ; Prestwick1_000414; NCGC00015049-01; ZINC00004495; NCGC00025057-05; Spectrum3_001882; BiomolKI_000078; NCI60_041830; Bio1_001354; ghl.PD_Mitscher_leg0.1194; SPECTRUM200846; A828903; DivK1c_000798; 5-18-04-00574 (Beilstein Handbook Reference); 5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-olate; C.I. Natural Yellow 1; 461015-54-3; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)- (9CI); 5,7-dihydroxy-2-(4-hydroxyphenyl)chromone; SMP2_000338; BiomolKI2_000082; Prestwick0_000414; Tocris-1227; Lopac-A-3145; Bio1_000865; NSC83244; Versulin; Pelargidenon 1449; Bio1_000376; Spigenin; 5,7,4'-Trihydroxyflavone; ST056301; UCCF 031; SPBio_000416; Apigenine; C01477; CAS-520-36-5; BSPBio_003384 |
C15H10O5 |
270.24 |
C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O |
|
TCMBANKIN037001 |
alpha-Guaiene |
(1S,4S,7R)-1,4-dimethyl-7-prop-1-en-2-yl-1,2,3,4,5,6,7,8-octahydroazulene; alpha-guaiene; α-guaiene; (1S,4S,7R)-7-isopropenyl-1,4-dimethyl-1,2,3,4,5,6,7,8-octahydroazulene |
C15H24 |
204.35 g/mol |
CC1CCC(CC2=C1CCC2C)C(=C)C |
|
TCMBANKIN037352 |
Isoschaftoside |
Apigenin 6-C-alpha-L-arabinopyranoside-8-C-beta-D-glucopyranoside; 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]-6-[(2S,3R,4S,5S)-3,4,5-trihydroxytetrahydropyran-2-yl]chromone; 4H-1-Benzopyran-4-one, 6-alpha-L-arabinopyranosyl-8-beta-D-glucopyranosyl-5,7-dihydroxy-2-(4-hydroxyphenyl)-; 52012-29-0; 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one; LMPK12110243; 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-6-[(2S,3R,4S,5S)-3,4,5-trihydroxytetrahydropyran-2-yl]chromen-4-one; 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]-6-[(2S,3R,4S,5S)-3,4,5-trihydroxy-2-tetrahydropyranyl]-4-chromenone; 5,7,4'-Trihydroxy-6-C-arabinoside-8-C-glucoside flavone; Isoschaftoside |
|
564.49 |
|
|
TCMBANKIN037935 |
Rivularin |
5,2'-dihydroxy-7,8,6'-trimethoxyflavone |
|
344.32 |
|
|
TCMBANKIN038204 |
ferulic acid |
(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate; caffeic acid 3-methyl ether; ferulicacid; A803063; (E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoate; CJ-00500; ZB002373; ferulate; CHEBI:29749; (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate; 3-Methoxy-4-hydroxy-trans-cinnamate; (E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate; Ferulic Acid; AC1NUT2L; ferulic acid |
C10H10O4 |
194.18 |
COC1=C(C=CC(=C1)C=CC(=O)O)[O-] |
|
TCMBANKIN038443 |
sinapine bisulfate |
|
C16H25NO9S |
407.4 g/mol |
C[N+](C)(C)CCOC(=O)C=CC1=CC(=C(C(=C1)OC)O)OC.OS(=O)(=O)[O-] |
|
TCMBANKIN039554 |
hexanoic acid |
(C6-C12) Alkylcarboxylic acid; n-Hexoic acid; BRN 0773837; Hexanoyl DL-carnitine; AC1O52RE; hexanoicacid; 142-62-1; Hexanoic acid (natural); n-Hexanoic acid; CCRIS 1347; Hexacid 698; 153745_ALDRICH; Hexanoic acid; 13476-79-4; 8040-17-3; 51109-46-7; AI3-07701; WLN: QV5; VVPRQWTYSNDTEA-UHFFFAOYSA-N; 19455-00-6; (C5-C9) Monobasic acids; Pentylformic acid; Hexanoyl-d,l-carnitine; Capronic acid; Butylacetic acid; Kyselina kapronova [Czech]; 4-02-00-00917 (Beilstein Handbook Reference); C01585; 1-Pentanecarboxylic acid; UN2829; 3-hexanoyloxy-4-(trimethylazaniumyl)butanoate; Fatty acids, C6-12; (C6-C12)Alkylcarboxylic acid; W255912_ALDRICH; NSC8266; CAPROIC ACID; CH3-[CH2]4-COOH; LMFA01010006; HEXANOIC ACID (CAPROIC ACID); n-Caproic acid; EINECS 267-013-3; CHEBI:30776; Hexanoylcarnitine; 68603-84-9; 70248-25-8; 21529_FLUKA; HSDB 6813; 3-(hexanoyloxy)-4-(trimethylazaniumyl)butanoate; Carboxylic acids, C5-9; NSC 8266; NCIOpen2_005355; LMFA07070070; 1-Propanaminium,3-carboxy-N,N,N-trimethyl-2-[(1-oxohexyl)oxy]-, chloride (1:1); EINECS 205-550-7; SCHEMBL235082; 1-Hexanoic acid; Pentanecarboxylic acid; Acid C-6; Carboxylic acids, C6-18 and C6-18-unsatd. mono- and C8-15-di-; H12137_ALDRICH; W255904_ALDRICH; 16571-42-9; Hexylic acid; AIDS212980; Caproic acid [UN2829] [Corrosive]; FEMA No. 2559; 67762-36-1; n-Hexylic acid; Hexoic acid; Pentiformic acid; EINECS 274-509-3; 6418-78-6; AIDS-212980; 53896-26-7; CTK4C6070; EINECS 271-676-4; Hexanoic acid ester with (3-carboxy-2-hydroxypropyl)trimethylammonium hydroxide inner salt; CHEBI:70749; InChI=1/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8; O-hexanoylcarnitine; 1-Propanaminium, 3-carboxy-N,N,N-trimethyl-2-[(1-oxohexyl)oxy]-, inner salt; 3-(hexanoyloxy)-4-(trimethylammonio)butanoate |
C6H12O2 |
116.158 |
C(O[H])(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H] |
|
TCMBANKIN039940 |
Isomartynoside |
AIDS112625; isomartynoside; AIDS-112625; .beta.-D-Glucopyranoside, 2-(4-hydroxy-3-methoxyphenyl)ethyl 3-O-(6-deoxy-.alpha.-L-mannopyranosyl)-6-O-[(2E)-3-(3-hydroxy-4-methoxyphenyl)-1-oxo-2-propenyl]- |
C31H40O15 |
652.64 |
CC1C(C(C(C(O1)OC2C(C(OC(C2O)OCCC3=CC(=C(C=C3)OC)O)COC(=O)C=CC4=CC(=C(C=C4)O)OC)O)O)O)O |
|
TCMBANKIN040391 |
Germacrene D |
C16142; (1E,6E,8S)-8-isopropyl-1-methyl-5-methylenecyclodeca-1,6-diene; (1E,6E,8S)-8-isopropyl-1-methyl-5-methylene-cyclodeca-1,6-diene; germacrene-d; (-)-Germacrene D; (1E,6E,8S)-1-methyl-5-methylidene-8-propan-2-yl-cyclodeca-1,6-diene; germacrene d; Germacrene- D; GermacreneD; (1E,6E,8S)-1-methyl-5-methylidene-8-propan-2-ylcyclodeca-1,6-diene; nchembio.2007.29-comp4 |
C15H24 |
204.351 |
C1([H])([H])C(=C([H])[H])\C([H])=C([H])\[C@]([H])(C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])\C(\C([H])([H])[H])=C([H])\C1([H])[H] |
|
TCMBANKIN040747 |
Epiberberine |
SMR000232286; AK199153; BDBM50986; 16,17-DIMETHOXY-5,7-DIOXA-1??-AZAPENTACYCLO[11.8.0.0_,__.0?,?.0_?,_?]HENICOSA-1(13),2,4(8),9,11,14(19),15,17-OCTAEN-1-YLIUM; SC-81909; ZINC6017816; CTK5C8375; FT-0688286; Epiberberine; DTXSID90218854; 16,17-DIMETHOXY-5,7-DIOXA-1??-AZAPENTACYCLO[11.8.0.0(3),(1)(1).0?,?.0(1)?,(1)?]HENICOSA-1(13),2,4(8),9,11,14(19),15,17-OCTAEN-1-YLIUM; MolPort-039-052-346; HMS3358O04; AKOS025149077; GNF-Pf-2355; 8,9-Dimethoxy-11,12-dihydro-[1,3]dioxolo[4,5-h]isoquinolino[2,1-b]isoquinolin-13-ium; epiberberine ; NCGC00247623-01; CHEMBL1197637; N2453; HMS2229E04; 6873/9/2; MLS000563434; Benz(a)-1,3-benzodioxolo(4,5-g)quinolizinium, 11,12-dihydro-8,9-dimethoxy-; AC1L4ODP; HY-N0226; cid_160876; AC1Q701H |
|
337 |
|
|
TCMBANKIN041272 |
stearic acid |
4-02-00-01206 (Beilstein Handbook Reference); AIDS-049230; Emersol 871; 8039-52-9; 126539-56-8; stearic acid, ion(1-); D00119; octadecoic acid; Hydrofol Acid 150 (VAN); 134503-33-6; Fatty acids C16-18; 68937-76-8; Kam 2000; VLZ 200; Lunac S 98; Glycon S-80; Hy-phi 1205; Lunac YA; Pristerene 9429; Pristerene 4900; Octadecanoic acid (9CI); Hystrene 9718NF; Edenor FHTI; Cetylacetic acid; NAA 173; NSC 25956; Lunac S 90; S 30C S 30C (fatty acid); Neo-Fat 18-61; Dar-chem 14; NSC25956; Edenor HT-JG 60; Octadecanoate; 57485-56-0; Oktadekansaeure; S 300 (fatty acid); Unister NAA 180; Industrene 5016; Prisorine 3508; Hydrofol Acid 150; Hystrene 4516; G 270; Stearic Acid Cherry; Century 1230; 822-16-2 (SODIUM SALT); NCGC00091596-02; Glycon S-90; 85404-83-7; NCGC00091596-01; Stearic acid (JP15/NF); Hystrene 5016; Hy-phi 1303; Glycon S-70; C01530; Octadecansaeure; Neo-Fat 18-55; WO 2 (fatty acid); Pristerene 9559; SA 200; Century 1240; Stearic acid, pure; Sunfat 18S; WO 2; CHEBI:28842; Industrene 5016K; LS-2392; Kam 3000; BRN 0608585; Edenor ST 20; AIDS049230; Lunac 30; EINECS 273-087-8; Emersol 150; 175366_SIAL; 8039-54-1; Fatty acids, C16-20; stearicacid; Stearic acid ion(1-)salt; Stearic acid (8CI); Stearinsaeure; Emersol 153NF; Hydrofol acid 1855; 57-11-4; Lunac S 30; Hystrene T 70; Prisorine 3501; Haimaric MKH(R); Stearex Beads; Groco 55; Hystrene S-97; Neo-Fat 18-54; W303518_ALDRICH; Hydrofol acid 1655; Nonsoul SN 1 (*Sodium salt*); EINECS 200-313-4; 39390-61-9; Emersol 120; EPA Pesticide Chemical Code 079082; Lunac S 20; Octadecanoic acid, ion(1-); 8013-28-3; AI3-00909; Kortacid 1895; FEMA No. 3035; Hystrene S 97; 82497-27-6; Tegostearic 254; SNA-2000 (*Sodium salt*); 1-Heptadecanecarboxylic acid; AC1MHWEJ; STL280244; 27405_RIEDEL; Steric acid; Industrene 9018; Glycon dp; F 3 (lubricant); Hy-phi 1401; Lunac S 50; Emersol 132; Stearic acid, ion(1-) (8CI); CH3-[CH2]16-COO(-); acide octadecanoique; Groco 55l; 73297_FLUKA; Serfax MT 90; Stearic acid [USAN:JAN]; 8039-51-8; acide stearique; Kam 1000; Acidum stearinicul; InChI=1/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20; 8039-53-0; 17FA; Stearophanic acid; 8037-83-0; Hystrene 7018; FA 1655; Prisorine 3502; Nonsoul SK 1; Hydrofol Acid 1895; Lunac S 40; Stearic acid 50; 8023-06-1; 85679_FLUKA; HSDB 2000; n-Octadecanoate; 400JB9103-88; Glycon tp; Unimac 5680; Loxiol G 20; Stearate; 875D; Octadecanoic acid; Neo-Fat 18-53; octadecanoate (n-C18:0); Radiacid 0427; Emery 871; Vanicol; Vis-Plus; PD 185; EINECS 250-178-0; AKOS022105769; 646-29-7; Edenor ST 1; S 300; Caswell No. 801D; Selosol 920; Tegostearic 272; Isostearic acid EX; A 1760; WLN: QV17; Stearic acid (TN); Pearl stearic; 609343-71-7; Palmitic acid - stearic acid mixture; Emersol 875; Industrene 8718; Hystrene 9718NFFG; NCGC00164255-02; ST023799; LMFA01010018; Groco 54; Edenor C18; Hystrene T-70; Hy-phi 1199; CTK8J8420; n-Octadecanoic acid; Groco 58; Pristerene 4963; Formula 300; AFCO-Chem B 65; CCRIS 2305; Industrene R; Century 1220; S4751_SIGMA; Neo-Fat 18; 58392-66-8; Barolub FTA; Hystrene 9718; CH3-[CH2]16-COOH; STE; 8037-40-9; 30399-84-9; Lunac S 90KC; Hydrofol 1895; Emery 875D; Century 1210; QIQXTHQIDYTFRH-UHFFFAOYSA-M; Neo-Fat 18-59; LS-1388; Groco 59; Humko Industrene R; Hystrene 80; Adeka Fatty Acid SA 910; Stearic acid; Prifac 2918; Emersol 6349; Edenor C 18/98; 3uex; LS-97707; CHEBI:25629; Neo-Fat 18-S; Stearic acid - palmitic acid mixture; Tegostearic 255; C-Lube 10 |
C18H36O2 |
284 |
C([H])([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(O[H])=
O |
|
TCMBANKIN041607 |
alpha-phenylcinnamic acid nitrile |
α-phenylcinnamicacidnitrile |
|
205.255 |
C1=CC=C(C=C1)C(=CC#N)C2=CC=CC=C2 |
|
TCMBANKIN043265 |
beta-Skytanthine |
beta-Skytanthine; CHEBI:10445; 24282-31-3; DTXSID90331875; C09987; AC1L9D2E; (4S,4aR,7S,7aS)-2,4,7-trimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine |
|
167.29 g/mol |
|
|
TCMBANKIN043270 |
p-Coumaric acid |
CHEBI:32373; Para-Coumaric acid; ZB001183; trans-4-Hydroxycinnamic acid; (E)-3-(4-Hydroxyphenyl)-2-propenoic acid; 2-propenoic acid, 3-(4-hydroxyphenyl)-, (2E)-; Naringeninic acid; p-Cumaric acid; CHEBI:36090; p-Coumaric acid,trans; 501-98-4; (E)-3-(4-hydroxyphenyl)acrylic acid; trans-4-coumarate; 4'-Hydroxycinnamic acid; 4-(2-Carboxyethenyl)phenolate; HC4; trans-4-hydroxycinnamate; trans-p-Coumarinic acid; 4-hydroxycinnamate anion; 3-(4-hydroxyphenyl)acrylic acid; (2E)-3-(4-hydroxyphenyl)prop-2-enoic acid; 3-(4-hydroxyphenyl)prop-2-enoate; trans-p-Hydroxycinnamic acid; (E)-3-(4-hydroxyphenyl)prop-2-enoate; (E)-p-Hydroxycinnamic acid; 3-(4-hydroxyphenyl)acrylate; trans-4-coumaric acid; trans-p-Coumaric acid; (2E)-3-(4-hydroxyphenyl)acrylate; 4-10-00-01005 (Beilstein Handbook Reference); C00811; (2E)-3-(4-hydroxyphenyl)acrylic acid; BRN 2207383; CHEBI:12876; beta-(4-Hydroxyphenyl)acrylic acid; Para coumaric acid; COUMARATE; MLS001066419; 28200_FLUKA; p-Hydroxyphenylacrylic acid; Cinnamic acid, p-hydroxy-; 4-Coumaric acid; InChI=1/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12; 7400-08-0; beta-[4-hydroxyphenyl]acrylic acid; A828008; p-coumaricacid; SBB007613; 4-Hydroxycinnamate; Cinnamic acid, p-hydroxy-, (E)-; SMR000112201; 0-10-00-00297 (Beilstein Handbook Reference); CINNAMIC ACID,4-HYDROXY P-COUMARIC ACID; (E)-p-Coumaric acid; AIDS027710; CJ-00262; (2E)-3-(4-hydroxyphenyl)prop-2-enoate; 2-Propenoic acid, 3-(4-hydroxyphenyl)-; ZINC00039811; .beta.-[4-Hydroxyphenyl]acrylic acid; p-coumaric acid ; AC1NRBN2; InChI=1/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3; trans-p-coumarate; (E)-3-(4-hydroxyphenyl)prop-2-enoic acid; 4-Oxylatocinnamate; p-Hydroxycinnamic acid; HYDROXYCINNAMIC ACID; EINECS 231-000-0; BRN 2207381; NSC 674321; Enamine_005378; 4-Hydroxycinnamic acid; CHEBI:32374; NSC674321; AIDS-027710; 2-Propenoic acid, 3-(4-hydroxyphenyl)-, (E)- (9CI); NSC59260; p-coumarate; (E)-3-(4-hydroxyphenyl)-2-propenoate; C9008_SIGMA; 3-(4-Hydroxyphenyl)-2-propenoic acid; 3-(4-hydroxyphenyl)prop-2-enoic acid; 4-coumarate; NSC 59260 |
C9H8O3 |
164.158 |
c1([H])c([H])c(O[H])c([H])c([H])c1\C([H])=C([H])\C(=O)O[H] |
|
TCMBANKIN043850 |
Isoscutellarein 8-O-beta-D-glucuronide |
|
C21H18O18S2 |
622.487 |
c1([H])c(O[H])c([H])c([H])c(C2=C([H])C(=O)c(c(O[H])c([H])c(O[H])c3O[C@@]4([H])[C@@]([H])(OS(=O)(O)=O)[C@]([H])(O[H])[C@@](OS(O)(=O)=O)([H])[C@]([H])(C(O[H])=O)O4)c3O2)c1[H] |
|
TCMBANKIN044013 |
viscidulin iii-6'-o-β-d-glucopyranoside |
|
|
|
|
|
TCMBANKIN044194 |
3,4',5-Trihydroxy-7-methoxy-8-isopentenyl-flavone |
|
C21H20O6 |
368.38 |
O(C([H])([H])[H])c1c([H])c(O[H])c2c(OC(c3c([H])c([H])c(O[H])c([H])c3[H])=C(O[H])C2=O)c1C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H] |
|
TCMBANKIN044814 |
Oroxylin A 7-O-glucuronide |
|
|
460.4 g/mol |
|
|
TCMBANKIN045930 |
Sinapine |
18696-26-9; AK676101; ZINC1532786; C00933; Ethanaminium, 2-((3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl)oxy)-N,N,N-trimethyl-; 2-((3-(4-Hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl)oxy)-N,N,N-trimethylethanaminium; AC1Q65Q4; Sinapine bisulphate; sinapic acid choline ester; 09211A0HHL; ACon1_000255; 2-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyloxy]-N,N,N-trimethylethanaminium; UNII-09211A0HHL; MCULE-2468175287; Q-100224; O-sinapoylcholine; CHEBI:16353; AC1NQWZ5; 2-((3-(4-Hydroxy-3,5-dimethoxyphenyl)acryloyl)oxy)-N,N,N-trimethylethanaminium; BRD-K21295184-064-01-0; 2-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxyethyl-trimethylazanium; 4-Hydroxy-3,5-dimethoxycinnamate choline; BG01022959; MEGxp0_001763; AKOS030626997; C16H24NO5; DTXSID10171957; Sinapoylcholine; Ethanaminium,2-[[3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propen-1-yl]oxy]-N,N,N-trimethyl-; Sinapine; 8262AH; sinapoylcholine; sina-pine; 2-(4-hydroxy-3,5-dimethoxycinnamoyloxy)-N,N,N-trimethylethanaminium; MolPort-019-904-083 |
C17H25N2O5S |
370 |
O(C(=O)\C([H])=C([H])\c1c([H])c(OC([H])([H])[H])c(O[H])c(OC([H])([H])[H])c1[H])C([H])([H])C([H])([H])N(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H].N#CS |
|
TCMBANKIN046785 |
8-C-Arabinopyranosyl-6-C-glucopyranosyl-5,7-dihydroxyflavone |
|
|
|
|
|
TCMBANKIN047268 |
6-c-arabinosyl-8-c-glucosyl apigenin |
|
C26H28O14 |
|
|
|
TCMBANKIN047869 |
3,5,7,3',4'-pentamethoxyflavone |
|
C20H20O7 |
372.4 g/mol |
COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C=C3OC)OC)OC)OC |
|
TCMBANKIN048368 |
Nothosmyrnol |
Benzene, 1-(E)-(1-propenyl)-2,4-dimethoxy; 1-(1-Propenyl)-2,4-dimethoxybenzene; 829-39-0; AC1NSQI7; 2,4-dimethoxy-1-prop-1-enylbenzene; 1-(2,5-dimethoxy)phenyl-1-propene; 2,4-dimethoxy-1-[(E)-prop-1-enyl]benzene; 2,4-Dimethoxy-1-(1-propenyl)benzene; Benzene, 2,4-dimethoxy-1-(1-propenyl)-; SCHEMBL12090696; ghl.PD_Mitscher_leg0.56; SKWTXGMULLCOGN-SNAWJCMRSA-N |
C11H14O2 |
178.228 |
c1(OC([H])([H])[H])c([H])c(OC([H])([H])[H])c(\C(=C([H])\C([H])([H])[H])[H])c([H])c1[H] |
|
TCMBANKIN048875 |
2-(3-Hydroxy-4-methoxyphenyl)-ethyl-1-O-α-L-rhamnosyl-(1→3)-β-D-(4-feruloyl)-glucoside |
|
|
|
|
|
TCMBANKIN057142 |
Ruvoside |
UN2330; 1120-21-4; CAS-1120-21-4; LTBB002321; LS-158394; UN 2330; UNII-JV0QT00NUE; DSSTox_CID_1689; AI3-21126; U203; ACMC-209t6p; MolPort-001-783-218; Jsp000912; CCRIS 3796; Undecane [UN2330] [Flammable liquid]; EC 214-300-6; UND; undecyl group; 4-01-00-00487 (Beilstein Handbook Reference); KSC176C3J; Undecane; ANW-42095; 175476-97-8; DSSTox_RID_76285; AC1L23G2; n-Undecane, 99% 50g; Undekan; Undecane, 99%; QSPL 058; 17398EC4-D16F-42F6-8A27-60F8EC075469; BRN 1697099; Undecane, >=99%; TR-002350; InChI=1/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H; UNDECAN-2-YL; MCULE-7319807036; NSC 66159; EINECS 214-300-6; J-002689; RSJKGSCJYJTIGS-UHFFFAOYSA-N; NCGC00254001-01; DTXSID9021689; n-C11H24; U0002; S0283; undecan; DSSTox_GSID_21689; SC-79237; CHEMBL132474; Undecane, analytical standard; JV0QT00NUE; MFCD00008959; Hendekan; HSDB 5791; CH3-[CH2]9-CH3; NCGC00247896-01; C-28174; CC-33184; N-UNDECANE; AKOS005145675; FT-0633353; AN-20593; 61193-21-3; 55101-35-4; KS-00000WJI; NSC66159; NSC-66159; I14-60624; ZINC1693211; Hendecane; Decane, methyl-; n-Hendecane; LMFA11000591; CHEBI:46342; TRA0090240; Undecane [UN2330] [Flammable liquid]; DB-041031; CTK0H6134; RTR-002350; Tox21_300076;LMFA11000001; Tridekan; InChI=1/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H; CH3-[CH2]11-CH3; 629-50-5; 91490_FLUKA; 442713_SUPELCO; HSDB 5727; n-Tridecane; EINECS 211-093-4; NSC66205; T57401_ALDRICH; Tridecane; CHEBI:35998; NSC 66205; TRIDECANE, N-; C13834;Tridekan; UNII-114P5I43UJ component IIYFAKIEWZDVMP-UHFFFAOYSA-N; MCULE-7749861366; U393; DB-054344; Tridecane_GurudeebanSatyavani; ACMC-209t6w; C13H28; C13834; N-TRIDECANE; 757DB156-6441-49B0-A824-1532074AC0F6; NCGC00257175-01; IIYFAKIEWZDVMP-UHFFFAOYSA-N; Tridecane, >=99%; TL8004327; MolPort-003-933-018; LS-157141; AN-22061; STL301147; CAS-629-50-5; tridecan; LMFA11000001; SC-74775; AC1L1ZHL; LTBB002872; DSSTox_CID_7266; C-28190; InChI=1/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H; Tridecane, 99.0%; TRA0008560; I14-59696; KSC353S8D; UNII-FW7807707B component IIYFAKIEWZDVMP-UHFFFAOYSA-N; S0285; Dodecane, methyl-; AKOS016011009; FT-0632663; Tridecane, analytical standard; Alkanes, C12-14; MFCD00008979; UNII-A3LZF0L939; DSSTox_GSID_27266; RT-000404; CHEMBL135694; tridecyl group; KS-00000XDT; ST24031950; HSDB 5727; EINECS 211-093-4; AC1Q28TY; DSSTox_RID_78377; FT-0082500; DTXSID6027266; CC-33178; A3LZF0L939; Tox21_303043; NSC-66205; Tridecane; CH3-[CH2]11-CH3; CTK2F3981; TRD; EC 211-093-4; NSC66205; AK115985; ANW-42102; 629-50-5; CHEBI:35998; NSC 66205; TRIDECANE, N-; ZINC1693738;n-tridecane;TRD |
C30H46O9 |
|
[C@]1([H])(OC([H])([H])[H])[C@@]([H])(O[H])[C@]([H])(C([H])([H])[H])O[C@@]([H])(O[C@@]2([H])C([H])([H])[C@]3([H])[C@@](C([H])([H])O[H])([C@@]([H])(C([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@]([H])(
C4=C([H])C(=O)OC4([H])[H])C([H])([H])C5([H])[H])[C@]56O[H])[C@@]6([H])C([H])([H])C3([H])[H])C([H])([H])C2([H])[H])[C@@]1([H])O[H] |
|
TCMBANKIN057949 |
sucrose |
Amerfand; 29253-78-9; Sucrose (TN); alpha-D-Glucopyranoside, beta-D-fructofuranosyl-; saccharose; Sugar, compressible (NF); S0389_SIGMA; D06530; C00089; 1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside; Sucrose, purified; 8027-47-2; 30027-72-6; 29764-06-5; 86101-30-6; NSC 406942; D06529; Sucrose [USAN:JAN]; 146187-04-4; ST5308554; Sugar, confectioner's; D(+)-Saccharose; S7903_SIGMA; GLC-(1-2)FRU; alpha-D-glucopyranosyl beta-D-fructofuranoside; FICOLL; 151756-02-4; Sugar spheres (NF); White soft sugar (JP15); Sucraloxum [INN-Latin]; Saccharum; alpha-D-Glc-(1-2)-beta-D-Fru; S9378_SIGMA; 76056-38-7; 47289_SUPELCO; D-Sucrose; Sugar spheres; 87430-66-8; 104242-10-6; (alpha-D-Glucosido)-beta-D-fructofuranoside; Table sugar; Sacharose; (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol; NCI-C56597; 47167-52-2; CCRIS 2120; alpha-D-Glucopyranoside, beta-D-fructofuranosyl, homopolymer; D06528; Microse; Cane sugar; Amerfond; 64533-66-0; White soft sugar; beta-D-Fruf-(2<->1)-alpha-D-Glcp; sugar; White sugar; SUC; 84097_FLUKA; Rock candy; beta-D-Fructofuranosyl-alpha-D-glucopyranoside; Fructofuranoside, alpha-D-glucopyranosyl, beta-D; 80165-03-3; 47257-91-0; CHEBI:17992; 47185-09-1; S5390_SIGMA; alpha-D-Glucopyranoside, beta-D-fructofuranosyl; S1888_SIGMA; 220376-22-7; D06533; 8030-20-4; S3929_SIGMA; S1174_SIGMA; 65545-99-5; Glucopyranoside, beta-D-fructofuranosyl, alpha-D; S2395_SIGMA; 78654-77-0; D06531; (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol; SUCROSE; S5016_SIAL; 51909-69-4; 85456-51-5; D()-Saccharose; ZINC04217475; 84100_FLUKA; D00025; Confectioner's sugar; EINECS 200-334-9; Sugar, confectioner's (NF); 57-50-1; 100405-08-1; 92004-84-7; Beet sugar; S5391_SIGMA; Sucrose, dust; alpha-D-Glc-(1->2)-beta-D-Fru; beta-D-Fructofuranosyl alpha-D-glucopyranoside; 131932-12-2; HSDB 500; Sugar, compressible; AI3-09085; alpha-D-Glucopyranosylbeta-D-fructofuranoside; Rohrzucker; 16104_RIEDEL; (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-dimethylol-tetrahydrofuran-2-yl]oxy-6-methylol-tetrahydropyran-3,4,5-triol; Granulated sugar; S8501_SIGMA; Sucrose, purified (JAN); 146054-35-5; Sucrose (JP15/NF); 9012-95-7; Sucrose, pure; 75398-84-4; 50857-68-6; (2R,3R,4S,5S,6R)-2-[[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)-2-tetrahydrofuranyl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol; 25702-74-3; D(+)-Sucrose |
C12H22O11 |
342.3 g/mol |
C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O)O |
|
TCMBANKIN057971 |
sebacicacid |
AC1MI2Z2; EINECS 256-186-0; ACM45037670; sebacic acid; 45037-67-0; DTXSID50196366; Sebacaldehyde; decanedial; CTK1D8105; SCHEMBL453083; Usaf hc-1; 4-02-00-02078 (Beilstein Handbook Reference); 422088_ALDRICH; 26776-29-4; 4-OXODECANEDIOIC ACID; AI3-09127; S1752_ALDRICH; 4-OXOSEBACIC ACID; n-Decanedioic acid; Decanedicarboxylic acid; Mixture of undecanedioic acid; CHEBI:41865; Decanedioic acid; 4,7-DIOXOSEBACIC ACID; 14047-57-5; NSC19492; 111-20-6; EINECS 203-845-5; Sebacic acid; 32734-00-2; BRN 1210591; WLN: QV8VQ; NCGC00164361-01; Decanedioic acid, homopolymer; AIDS002604; Dodecanedioic acid and sebacic acid; Sebacic acids; 283258_ALDRICH; 1,8-Octanedicarboxylic acid; NSC 19492; C08277; CCRIS 2290; Sebacinsaeure; NCI60_001628; Polysebacic polyanhydride; Sebacinsaure [German]; Acide sebacique [French]; 84809_FLUKA; NCIOpen2_008624; 84810_FLUKA; AIDS-002604; 1,10-Decanedioic acid; LMFA01170006; CORFREE M1; decanedioic acid |
C10H18O4 |
202.25 g/mol |
C(CCCCC(=O)O)CCCC(=O)O |
|
TCMBANKIN058104 |
2-(2,6-dihydroxyphenyl)-3,5,7-trihydroxy-chromone |
2-(2,6-dihydroxyphenyl)-3,5,7-trihydroxy-4-chromenone; 2-(2,6-dihydroxyphenyl)-3,5,7-trihydroxy-chromen-4-one; 2-(2,6-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one; 3,5,7,2',6'-Pentahydroxy flavonol; 92519-95-4;3,5,7,2',6'-pentahydroxy flavone |
C15H10O7 |
302.24 g/mol |
C1=CC(=C(C(=C1)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O |
|
TCMBANKIN058108 |
2',3',5,7-tetrahydroxyflavone |
4H-1-Benzopyran-4-one, 2-(2,3-dihydroxyphenyl)-5,7-dihydroxy-; 5,7,2',3'-Tetrahydroxyflavone; 2-(2,3-dihydroxyphenyl)-5,7-dihydroxy-chromen-4-one; 2-(2,3-dihydroxyphenyl)-5,7-dihydroxy-chromone; 74805-70-2; 2-(2,3-dihydroxyphenyl)-5,7-dihydroxy-4-chromenone; 2-(2,3-dihydroxyphenyl)-5,7-dihydroxychromen-4-one;5,7,2',3'-tetrahydroxyflavone;5,7,2',3'-Tetrahydroxyflavone; 2-(2,3-Dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one; 4H-1-Benzopyran-4-one, 2-(2,3-dihydroxyphenyl)-5,7-dihydroxy-; 4H-1-Benzopyran-4-one,2-(2,3-dihydroxyphenyl)-5,7-dihydroxy-; AKOS030553571; 74805-70-2; LMPK12110137; SCHEMBL9148162; 2-(2,3-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one; DTXSID60225777; CTK5E0539; AK583616; 2-(2,3-dihydroxyphenyl)-5,7-dihydroxychromen-4-one; 2',3',5,7-tetrahydroxyflavone; AC1NT0WV |
C15H10O6 |
286.24g/mol |
C1=CC(=C(C(=C1)O)O)C2=CC(=O)C3=C(C=C(C=C3O2)O)O |
|
TCMBANKIN058220 |
breviscapine |
5,6,4'-trihydroxyflavone-7-o-beta-d-galactonic acid;scutellarin;5,6,4'-trihydroxyflavone-7-o-β-d-galactonicacid;(2S,3S,4S,5R,6S)-6-[[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-7-chromenyl]oxy]-3,4,5-trihydroxy-2-tetrahydropyrancarboxylic acid; CHEBI:61284; 676536-34-8; 1329-06-2; 4H-1-Benzopyran-4-one, 7-(.beta.-D-glucopyranuronosyloxy)-5,6-dihydroxy-2-(4-hydroxyphenyl)-; Flavone, 4',5,6,7-tetrahydroxy-, 7-beta-D-glucopyranuronoside; scutellarin(1-); scutellarein 7-O-beta-D-glucuronate; Scutellarein-7beta-D-glucuronide; AIDS-314104; AIDS314104; 32647-60-2; Scutellarein-7-O-beta-D-glucuronide; Scutellarein-7-glucuronide; Breviscapine; (2S,3S,4S,5R,6S)-6-[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid; 116122-36-2; Breviscapin; MEGxp0_000554; beta-D-Glucopyranosiduronic acid, 5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl; Glucopyranosiduronic acid, 5,6-dihydroxy-2-(p-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl, beta-D-; Scutellarin; Scutellarein-7beta-D-glucuronoside; 27740-01-8; 5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl beta-D-glucopyranosiduronate; (2S,3S,4S,5R,6S)-6-[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-chromen-7-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid; (2S,3S,4S,5R,6S)-6-[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-keto-chromen-7-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid; (2S,3S,4S,5R,6S)-6-[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-chromen-7-yl]oxy-3,4,5-trihydroxy-oxane-2-carboxylic acid |
C21H18O12 |
462.4 g/mol |
C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O)O |
|
TCMBANKIN058221 |
apigenin |
520-36-5; Spectrum2_000428; 10798_FLUKA; Biochem Biophys Res Comm 212: 767 (1997); CCRIS 3789; AIDS001401; apigenin-7-olate; KBioGR_002565; KBio3_002887; BSPBio_000368; 5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one; HSCI1_000221; Flavone, 4',5,7-trihydroxy-; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-; EINECS 208-292-3; A3145_SIGMA; 7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-1-benzopyran-5-olate; CHEBI:18388; IDI1_000798; NCGC00025057-04; AIDS-001401; NSC 83244; BPBio1_000406; Apigenol; 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-chromenone; NINDS_000798; NCGC00015049-02; 4′,5,7-Trihydroxyflavone; SPBio_002307; Prestwick_719; 2-(4-hydroxyphenyl)-7-oxidanyl-4-oxidanylidene-chromen-5-olate; Spectrum4_001999; Chamomile; KBio1_000798; BRN 0262620; Prestwick2_000414; Prestwick3_000414; SDCCGMLS-0066379.P001; CHEBI:58470; 5,7, 4'-trihydroxyflavone; NCGC00025057-02; 2-(p-Hydroxyphenyl)-5,7-dihydroxychromone; 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; APIGENIN; Lopac0_000065; K00045; 4′,5,7-Trihydroxyflavone; 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-benzopyrone; NCGC00025057-09; 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one; ACon1_002450; Oprea1_622293; EU-0100065; nchembio790-comp26; 4',5,7-Trihydroxyflavone; NCGC00025057-08; ND-9076; NCGC00025057-01; MEGxp0_000176; Apigenin; 4',5,7-Trihydroxyflavone; apigenin ; Prestwick1_000414; NCGC00015049-01; ZINC00004495; NCGC00025057-05; Spectrum3_001882; BiomolKI_000078; NCI60_041830; Bio1_001354; ghl.PD_Mitscher_leg0.1194; SPECTRUM200846; A828903; DivK1c_000798; 5-18-04-00574 (Beilstein Handbook Reference); 5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-olate; C.I. Natural Yellow 1; 461015-54-3; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)- (9CI); 5,7-dihydroxy-2-(4-hydroxyphenyl)chromone; SMP2_000338; BiomolKI2_000082; Prestwick0_000414; Tocris-1227; Lopac-A-3145; Bio1_000865; NSC83244; Versulin; Pelargidenon 1449; Bio1_000376; Spigenin; 5,7,4'-Trihydroxyflavone; ST056301; UCCF 031; SPBio_000416; Apigenine; C01477; CAS-520-36-5; BSPBio_003384 |
C15H10O5 |
270.24 |
C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O |
|
TCMBANKIN058226 |
scutellarein |
ZINC00899075; AC-11200; ST50331621; 5,6,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one; Isocarthamidin; AN-45602; MFCD00017692; 5,6,7-trihydroxy-2-(4-hydroxyphenyl)chromone; 6-Hydroxyapigenin; N2093; P460GTI853; 5,6,7,4'-Tetrahydroxyflavone; 4',5,6,7-Tetrahydroxyflavanone; AK198746; 6-Hydroxyapigenin;4,5,6,7-Tetrahydroxyflavone; C10184; 529-53-3; AC1NQYX1; Scutellarein, >=98% (HPLC); AKOS015960467; UNII-P460GTI853; Scutellarein; AIDS000486; D00LMG; DTXSID40200946;4',5,6,7-tetrahydroxyflavanone; HY-N0752; SCHEMBL142093; LMPK12111160; SC-65770; BG01578503; BDBM23411; A829325; scutellarein ; SCUTELLARTLN; Y0183; Q-100602; FT-0674545; AS-19541; 5,6,7-trihydroxy-2-(4-hydroxyphenyl)-4-chromenone; AIDS-000486; 5,6,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one; CHEBI:9062; ZINC5842416; MolPort-003-724-680; AB0035788; 4H-1-Benzopyran-4-one, 5,6,7-trihydroxy-2-(4-hydroxyphenyl)-; Flavonoid; API0004145; JVXZRQGOGOXCEC-UHFFFAOYSA-N; KS-00000HCF; 5,6,7-trihydroxy-2-(4-hydroxyphenyl)-1-benzopyran-4-one; 2-(4-hydroxyphenyl)-5,6,7-tris(oxidanyl)chromen-4-one; LS-39816; 529S533; ST5331621; 4',5,6,7-tetrahydroxyflavone; CHEMBL55415; 4H-1-Benzopyran-4-one,5,6,7-trihydroxy-2-(4-hydroxyphenyl)-; 5,6,7-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; CS-5596 |
C15H10O6 |
286.24 |
C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)O)O)O |
|
TCMBANKIN058238 |
sinalbine |
sinalbin ; 4-hydroxybenzyl-Glucosinolate |
C14H19NO10S2 |
425.4 g/mol |
C1=CC(=CC=C1CC(=NOS(=O)(=O)O)SC2C(C(C(C(O2)CO)O)O)O)O |
|
TCMBANKIN058255 |
Tyrosol |
NSC 59876; 4-Hydroxybenzeneethanol; P-HYDROXYPHENETHYL ALCOHOL; NSC59876; tyrosol; 56105_FLUKA; Benzeneethanol, 4-hydroxy-; 2-(4-Hydroxyphenyl)ethanol; 4-Hydroxyphenethyl alcohol; 2-(P-HYDROXYPHENYL)ETHANOL; ZINC00164581; SB 01196; 4-(2-hydroxyethyl)phenol; InChI=1/C8H10O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,9-10H,5-6H; EINECS 207-930-8; 4-Hydroxyphenylethanol; CHEBI:1879; 501-94-0; 188255_ALDRICH; 79058_FLUKA; C06044; 2-(4-hydroxyphenyl)-ethanol; 4-hydroxyphenethyl alcohol; p-hydroxyphenylethanol; p-hydroxyphenethyl alcohol; 2-(4-hydroxyphenyl)ethanol; p-hydroxyphenylethyl alcohol |
C8H10O2 |
138.16 g/mol |
C1=CC(=CC=C1CCO)O |
|
TCMBANKIN058256 |
salidroside |
10338-51-9; (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]oxane-3,4,5-triol; SCHEMBL17580247; (2R,3R,4S,5S,6R)-2-[2-(4-hydroxyphenyl)ethoxy]-6-methylol-tetrahydropyran-3,4,5-triol; ACon1_000366; 2-(4-Hydroxyphenyl)ethyl beta-D-glucopyranoside; Glucopyranoside, p-hydroxyphenethyl; Rhodosin; (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]tetrahydropyran-3,4,5-triol; MEGxp0_000478; Rhodioloside; beta-D-Glucopyranoside, 2-(4-hydroxyphenyl)ethyl; |
C14H20O7 |
300.3 g/mol |
C1=CC(=CC=C1CCOC2C(C(C(C(O2)CO)O)O)O)O |
|
TCMBANKIN058289 |
benzophenone |
WLN: RVR; 427551_ALDRICH; NSC 8077; Ketone, diphenyl; .alpha.-Oxoditane; Mettler Toledo Calibration substance ME 18870, Benzophenone; alpha-Oxodiphenylmethane; alpha-Oxoditane; NSC8077; AIDS-017932; Benzene, benzoyl-; EINECS 204-337-6; 442842_SUPELCO; W213403_ALDRICH; Methanone, diphenyl-; AIDS017932; HSDB 6809; CCRIS 629; 239852_SIAL; NCGC00090787-04; di(phenyl)methanone; Diphenyl ketone; 73664_FLUKA; ZINC00968233; AI3-00754; UPCMLD-DP071:001; Benzophenone; Diphenylmethanone; BENZOPHENONE (8CI); NCGC00090787-01; .alpha.-Oxodiphenylmethane; Caswell No. 081G; Diphenylketone; Benzoylbenzene; NCGC00090787-03; METHANONE, DIPHENYL- (9CI); ST5214455; B9300_SIAL; FEMA No. 2134; C06354; 119-61-9; InChI=1/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10; EPA Pesticide Chemical Code 000315; CHEBI:41308; BENZOPHENONE (DIPHENYL-KETONE); Phenyl ketone; BZQ |
C13H10O |
182.22 g/mol |
C1=CC=C(C=C1)C(=O)C2=CC=CC=C2 |
|
TCMBANKIN058293 |
BOX |
FEMA No. 2131; Benzenemethanoic acid; Retardex; Caswell No. 081; LS-280; Benzeneformic acid; benzoic acid; 1863-63-4 (AMMONIUM SALT); E 210; 65-85-0; 109479_SIAL; benzenecarboxylic acid; Benzoic acid (TN); NSC7918 (AMMONIUM SALT); AI3-03710; WLN: QVR; BEZ; 582-25-2 (POTASSIUM SALT); Kyselina benzoova; 33047_RIEDEL; C00180; Flowers of benzoin; HSDB 704; W213128_ALDRICH; ST5213864; nchembio.2007.22-comp2; C03096; D00038; B8027_SIGMA; Kyselina benzoova [Czech]; InChI=1/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9; EPA Pesticide Chemical Code 009101; Benzoesaeure [German]; Benzoesaeure; 18102_RIEDEL; Benzoic acid [USAN:JAN]; W213101_ALDRICH; 8013-63-6; Dracylic acid; Unisept BZA; AIDS-018010; phenylformic acid; Benzoic acid (JP15/USP); 47849_SUPELCO; Retarder BA; Aromatic hydroxy acid; B2670_SIGMA; CHEBI:30746; B2920_SIGMA; Mettler Toledo Calibration substance ME 18555, Benzoic acid; CCRIS 1893; Benzoesaeure GV; Acido benzoico [Italian]; Benzoic acid (natural); NSC149; Benzoic acid-ring-UL-14C; Benzoesaeure GK; Acide benzoique; Flowers of benjamin; Benzoic acid, tech.; AI3-0310; HA 1 (acid); Salvo liquid; Acide benzoique [French]; 12353_FLUKA; Tenn-Plas; Carboxybenzene; 242381_SIAL; Salvo, liquid; AIDS018010; Phenylcarboxylic acid; NCGC00091886-01; Solvo powder; 427608_ALDRICH; Benzoic acid (7CI,8CI,9CI); 33045_RIEDEL; HA 1; 73983_FLUKA; Solvo, powder; Benzoate (VAN); NSC 149; EINECS 200-618-2;benzenecarboxylic acid |
C7H6O2 |
122.12 |
C1=CC=C(C=C1)C(=O)O |
|
TCMBANKIN058314 |
benzaldehyde |
SCHEMBL896024; A804633;Benzoic aldehyde;WLN: VHR;InChI=1/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6; CHEBI:17169; Benzene methylal; B1334_ALDRICH; Ald3-H_000012; Benzenecarbonal; Benzaldehyde (natural); NCGC00091819-01; AI3-09931; EINECS 202-860-4; Oil of Bitter Almond; ST5213372; Artificial essential oil of almond; nchembio814-comp15; LS-27; EPA Pesticide Chemical Code 008601; BENZALDEHYDE; W212709_ALDRICH; Ald3.1-H_000160; D02314; Benzenemethylal; NCI-C56133; HSDB 388; 12010_FLUKA; Ald3.1-H_000479; Benzaldehyde FFC; W212717_ALDRICH; Benzene carbaldehyde; CCRIS 2376; 100-52-7; Benzaldehyde [UN1990] [Class 9]; Caswell No. 076; Benzenecarboxaldehyde; Benzoyl hydride; Ald3.1-H_000798; Benzaldehyde (NF); Artificial Almond Oil; Benzaldehyde [USAN]; Artificial Bitter Almond Oil; 09143_FLUKA; C00261; Synthetic oil of bitter almond; FEMA No. 2127; ghl.PD_Mitscher_leg0.170; c0279; 418099_ALDRICH; Benzoic aldehyde; Benzene carboxaldehyde; benzanoaldehyde; Bitter almond oil, synthetic; UN1990; NSC7917; Almond Artificial Essential Oil; NSC 7917; Benzadehyde; Phenylmethanal |
C7H6O |
106.12 |
C1=CC=C(C=C1)C=O |
|
TCMBANKIN058318 |
baicalein-7-o-β-d-glucopyranoside |
|
C21H20O10 |
|
C1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O |
|
TCMBANKIN058319 |
chrysin |
NCI60_003886; AIDS-001398; NCGC00094842-05; Spectrum5_001503; 5,7-dihydroxy-2-phenyl-chromen-4-one; 5,7-dihydroxy-2-phenyl-4H-chromen-4-one; CAS-480-40-0; AIDS001398; Spectrum3_001399; KBio3_002238; 5,7-dihydroxy-2-phenylchromen-4-one; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-phenyl- (9CI); NCGC00094842-04; 5,7-dihydroxy-2-phenyl-4-chromenone; BPBio1_000746; SPBio_000766; 5-18-04-00076 (Beilstein Handbook Reference); SPBio_002897; SBB012459; KBioSS_000725; SPECTRUM1500709; BSPBio_003018; KBio2_000725; chrysin ; Prestwick2_000889; 5,7-dihydroxyflavone; Spectrum4_000780; FLAVONE, 5,7-DIHYDROXY-; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-phenyl-; Spectrum_000245; Spectrum2_000753; KBio2_003293; 5,7-diOH-Flavone; SDCCGMLS-0066586.P001; KBio1_000614; NCGC00016456-01; SPECTRUM1505144; IDI1_000614; EINECS 207-549-7; Oprea1_045160; SMP1_000070; Prestwick3_000889; Chrysine; KBio2_005861; Prestwick1_000889; 5,7-Dihydroxy-2-phenyl-4H-benzo(b)pyran-4-one; S00112; NCGC00094842-01; NCGC00094842-03; MEGxp0_001416; C80105_ALDRICH; DivK1c_000614; 5,7-dihydroxy-2-phenyl-chromone; KBioGR_001200; NCGC00094842-02; 5,7-Dihydroxyflavone; NINDS_000614; BSPBio_002514; 5,7-Dihydroxy-2-phenyl-4H-1-benzopyran-4-one; ZINC00057650; 480-40-0; ACon1_000087; 27214_FLUKA; C10028; NSC 407436; BRN 0233276; Prestwick0_000889; NSC407436; BSPBio_000678; Chrysin; 5,7-dihydroxyflavone |
C15H10O4 |
254.24 g/mol |
C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O |
|
TCMBANKIN058321 |
Norwogonin |
70U0WT21IB; AKOS027381297; ST50309217; 5,7,8-trihydroxy-2-phenyl-chromone; 2-Phenyl-5,7,8-trihydroxy-4H-1-benzopyran-4-one; 5,7,8-Trihydroxy-2-phenyl-4H-chromen-4-one; LS-69047; 4H-1-Benzopyran-4-one, 2-phenyl-5,7,8-trihydroxy-; UNII-70U0WT21IB; CHEBI:7642; 4H-1-Benzopyran-4-one, 2-phenyl-5,7,8-trihydroxy- (9CI); ZINC5934539; 4443/9/8; SCHEMBL760431; AC1NQYVA; MCULE-7196250903; 5,7,8-trihydroxy-2-phenylchromen-4-one; LMPK12111329; NSC128304; CTK4I8195; MFCD00016946; 4443-09-8; C-57553; ST5309217; AIDS016591; 5-18-04-00571 (Beilstein Handbook Reference); C10113; NCGC00385188-01!5,7,8-trihydroxy-2-phenylchromen-4-one; 5,7,8-Trihydroxyflavone; DTXSID20196171; norwogonin ; BRN 0272168; FLAVONE, 5,7,8-TRIHYDROXY-; 5,7,8-trihydroxy-2-phenyl-4-chromenone; MolPort-004-960-042; AK394875; CHEMBL485250; 5,7,8-trihydroxy-2-phenyl-chromen-4-one; norwogonin; AIDS-016591; NSC 128304; NSC-128304;nor-wogonin |
C15H10O5 |
270.24 g/mol |
C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)O |
|
TCMBANKIN058322 |
baicalein |
5,6,7-trihydroxyflavanone; KBio3_002435; NCGC00025282-03; 5,6,7-trihydroxy-2-phenyl-chromen-4-one; AIDS-000731; 5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one; baicalein ; Sho-saiko-to; 5,6,7-trihydroxy-2-phenylchromen-4-one; ST057152; Spectrum_000427; SPECTRUM1504002; 5,6,7-trihydroxy-2-phenyl-chromone; KBio1_001798; KBio2_006043; NSC 661431; 11712_FLUKA; SDCCGMLS-0066744.P001; KBioSS_000907; CHEBI:2979; SMP1_000037; 5,6,7-trihydroxy-2-phenyl-4-chromenone; LMPK12140610; SPBio_000572; NCGC00025282-02; Dihydrobaicalein; Baicalein; 5,6,7-trihydroxy-2-phenyl-chroman-4-one; Spectrum4_000537; KBioGR_001173; 491-67-8; NCGC00017236-01; S00113; 465119_ALDRICH; Spectrum5_001418; Oprea1_765614; Tocris-1761; DivK1c_006854; NSC729192; AIDS000731; BSPBio_003215; SCHEMBL12068882; 5,6,7-Trihydroxyflavone; Spectrum3_001608; KBio2_003475; SpecPlus_000758; 5,6,7-Trihydroxy-2-phenyl-4H-1-benzopyran-4-one; NSC661431; NCGC00025282-01; 5,6,7-trihydroxy-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one; C10023; Spectrum2_000466; TNP00121; KBio2_000907; ZINC00017881; Biacalein; 5,6,7-trihy-droxyflavone |
C15H10O5 |
270.24 g/mol |
C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)O)O |
|
TCMBANKIN058334 |
benzene acetaldehyde |
benzeneacetaldehyde; HY1; c0210; alpha-Tolyaldehyde; 1-Oxo-2-phenylethane; 107395_ALDRICH; Acetaldehyde,phenyl- (8CI); ZINC00895323; Phenylacetic aldehyde; alpha-Tolualdehyde; NSC406309; alpha-Toluic aldehyde; 2-phenylacetaldehyde; NSC 406309; CHEBI:16424; FEMA No. 2974; 122-78-1; Phenylacetaldehyde solution; .alpha.-Tolualdehyde; W287407_ALDRICH; PHENYLACETALDEHYDE; W287415_ALDRICH; Benzylcarboxaldehyde; .alpha.-Toluic aldehyde; hyacinthin; Acetaldehyde,phenyl-; Phenylethanal; InChI=1/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H; NCIOpen2_003602; AI3-02175; 77800_FLUKA; Phenylacetaldehyde (natural); 2-Phenylethanal; Oxophenylethane; Benzeneacetaldehyde; EINECS 204-574-5; C00601; phenylacetaldehyde; Hyacinthin |
C8H8O |
120.15 g/mol |
C1=CC=C(C=C1)CC=O |
|
TCMBANKIN058361 |
Diphenylamine |
WLN: RMR; EINECS 204-539-4; (phenylamino)benzene; Styrene, reaction product with diphenylamine; ZINC00967716; Oprea1_815288; Caswell No. 398; Diphenylamine, reaction product with 2,2,4-trimethylpentene; DIPHENYL-AMINE; Phenylaniline; Shield DPA; C6H5-NH-C6H5; Poly(diphenylamine); N-Fenylanilin [Czech]; AI3-00781; 33149_RIEDEL; Benzene, (phenylamino)-; CCRIS 4699; N-Phenylbenzenamine; Benzene, anilino-; 86352-05-8; NSC 215210; PS427_SUPELCO; 122-39-4; C11016; No-Scald; CHEBI:4640; No-Scald DPA 283; N-Phenylaniline; Naugalube 428L; Aniline, N-phenyl-; ST5406192; Big Dipper; No scald; NCGC00090889-02; Styrenated diphenylamine; NCGC00090889-01; HSDB 1108; Scaldip; InChI=1/C12H11N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13; N,N-Diphenylamine; N-Phenylbenzenamine, styrenated; C.I. 10355; Difenylamin [Czech]; di(phenyl)amine; CI 10355; Deccoscald 282; 112763_ALDRICH; Anilinobenzene; EINECS 270-485-3; Diphenylamine; Benzenamine, N-phenyl-; EPA Pesticide Chemical Code 038501; 45456_RIEDEL; 242586_SIAL; NSC215210;DFA |
C12H11N |
169.22 g/mol |
C1=CC=C(C=C1)NC2=CC=CC=C2 |
|
TCMBANKIN058373 |
glucobrassicin |
3-Indolylmethylglucosinolate; DNDNWOWHUWNBCK-LDADJPATSA-N; Glucobrassicin; indolylmethyl glucosinolate; 1-S-[(1E)-2-(1H-Indol-3-yl)-N-(sulfooxy)ethanimidoyl]-1-thiohexopyranose #; Glucobrassicine;C05837;glucosinolate |
C16H20N2O9S2 |
448.47 |
C1=CC=C2C(=C1)C(=CN2)CC(=NOS(=O)(=O)O)SC3C(C(C(C(O3)CO)O)O)O |
|
TCMBANKIN058414 |
1,8-dihydroxy-4-hydroxymethyl anthraquinone |
|
C15H10O5 |
270.24 g/mol |
C1=CC2=C(C(=C1)O)C(=O)C3=C(C=CC(=C3C2=O)CO)O |
|
TCMBANKIN058419 |
Xanthone der. |
1,3,5-trihydroxy-9-xanthenone; 1,3,5-Trihydroxyxanthone; 1,3,5-Trihydroxyxanthen-9-one; 6732-85-0; AIDS011160; AIDS-011160; C10094;1,3,5-trihydroxyxanthone |
C13H8O5 |
244.2 g/mol |
C1=CC2=C(C(=C1)O)OC3=CC(=CC(=C3C2=O)O)O |
|
TCMBANKIN058534 |
6-Hydroxynaringenin |
4H-1-Benzopyran-4-one, 2,3-dihydro-5,6,7-trihydroxy-2-(4-hydroxyphenyl)-, (2S)-; 4H-1-Benzopyran-4-one, 2,3-dihydro-5,6,7-trihydroxy-2-(4-hydroxyphenyl)-, (S)-; 479-54-9; Flavanone, 4',5,6,7-tetrahydroxy-; (2S)-5,6,7-trihydroxy-2-(4-hydroxyphenyl)-4-chromanone; (2S)-5,6,7-trihydroxy-2-(4-hydroxyphenyl)chroman-4-one; SCHEMBL476289; LMPK12140618; Carthamidin; 5,6,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one; Ambotz529-53-3; carthamidin |
C15H12O6 |
288.25 g/mol |
C1C(OC2=C(C1=O)C(=C(C(=C2)O)O)O)C3=CC=C(C=C3)O |
|
TCMBANKIN058682 |
hotrienol |
3,7-Dimethyloct-1,5,7-trien-3-ol; 3,7-dimethyl-1,5,7-octatrien-3-ol |
C10H16O |
152.23 g/mol |
CC(=C)C=CCC(C)(C=C)O |
|
TCMBANKIN058698 |
trans-shisool |
(4-prop-1-en-2-ylcyclohexyl)methanol; AK658944; cis-p-Menth-8-en-7-ol; (Cis-4-(prop-1-en-2-yl)cyclohexyl)methanol; SCHEMBL10886649; Cyclohexanemethanol, 4-(1-methylethenyl)-, trans-; SCHEMBL3129182; CTK0J6379; AKOS030614335; GMYHXOPIKMGWOM-MGCOHNPYSA-N; cis-isopulegone; [4-(prop-1-en-2-yl)cyclohexyl]methanol; 22521-57-9; 4beta-Isopropenylcyclohexane-1beta-methanol; p-Menth-8-en-7-ol; GMYHXOPIKMGWOM-OKXAEBFBSA-N; (4-(prop-1-en-2-yl)cyclohexyl)methanol; CTK0J6334; 18479-64-6; 22451-48-5; SCHEMBL6756040; 4beta-Isopropenylcyclohexane-1alpha-methanol; (4-Isopropenylcyclohexyl)methanol #; trans-Shisool; dihydroperilla-alcohol; SCHEMBL18071864; AC1LATEH; AKOS030614336; Cyclohexanemethanol, 4-(1-methylethenyl)-, cis-; AK658943; GMYHXOPIKMGWOM-AOOOYVTPSA-N; (Trans-4-(prop-1-en-2-yl)cyclohexyl)methanol; Shisool; cis-4-isopropenyl-cyclohexylmethanol; (4-Isopropenylcyclohexyl)methanol; dihydroperilla alcohol |
C10H18O |
154.25 g/mol |
CC(=C)C1CCC(CC1)CO |
|
TCMBANKIN058716 |
β-selinene |
ZINC8234293; (4aR,7R,8aS)-4a-methyl-1-methylidene-7-(prop-1-en-2-yl)decahydronaphthalene eudesma-4(14),11-diene; .beta.-Eudesmene; CHEBI:10443; YOVSPTNQHMDJAG-QLFBSQMISA-N; Eudesma-4(14),11-diene; (4aR,7R,8aS)-4a-methyl-1-methylidene-7-(prop-1-en-2-yl)decahydronaphthalene; (4aR,7R,8aS)-7-isopropenyl-4a-methyl-1-methylenedecahydronaphthalene; beta-selinene; CHEMBL2287242; beta-Selinene; eudesemene; 17066-67-0; beta-Eudesmene; BETA-SELINENE; beta-selinene ; (4aR,7R,8aS)-7-isopropenyl-4a-methyl-1-methylene-decalin; (4aR,7R,8aS)-7-isopropenyl-4a-methyl-1-methylenedecalin; beta-selinene ; β- Selinene; (+)-beta-Selinene; (3R,4aS,8aR)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-1,2,3,4,4a,6,7,8-octahydronaphthalene; .beta.-Selinene; [4aR-(4aalpha,7alpha,8abeta)]-decahydro-4a-methyl-1-methylene-7-(1-methylethenyl)-naphthalene; 7-Isopropenyl-4a-methyl-1-methylenedecahydronaphthalene-, (4aR-(4a.alpha.,7.alpha.,8a.beta.))-; (4ar,7r,8as)-decahydro-4a-methyl-1-methylene-7-(1-methylethenyl)-naphthalene; AC1L9CQH; (+)-.beta.-Selinene; LMPR0103190014; C09723; Naphthalene, decahydro-4a-methyl-1-methylene-7-(1-methylethenyl)-, [4aR-(4a.alpha.,7.alpha.,8a.beta.)]-;eudesma-4(14),11-diene; Eudesma-4(14), 11-diene;b-selinene;Eudesma-4(14),11-diene;Selinene;(4aS,7S,8aR)-7-isopropenyl-4a-methyl-1-methylenedecalin;(4aS,7S,8aR)-7-isopropenyl-4a-methyl-1-methylene-decalin; 18423-23-9; Naphthalene, decahydro-4a-methyl-1-methylene-7-(1-methylethenyl)-, (4aR-(4aalpha,7alpha,8abeta))-; (3S,4aR,8aS)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-1,2,3,4,4a,6,7,8-octahydronaphthalene |
C15H24 |
204.35 g/mol |
CC(=C)C1CCC2(CCCC(=C)C2C1)C |
|
TCMBANKIN058837 |
Supraene |
trans-Squalene; SQUALENE; 94016-35-0; 2,6,10,14,18,22-Tetracosahexaene, 2,6,10,15,19,23-hexamethyl-; (E,E,E,E)-Squalene; InChI=1/C30H50/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h15-18,23-24H,9-14,19-22H2,1-8H3/b27-17+,28-18+,29-23+,30-24; 442785_SUPELCO; Squalene, Spinacene, Supraene; AIDS-017396; 2,6,10,15,19,23-Hexamethyltetracosa-2,6,10,14,18,22-hexaene; 2,6,10,15,19,23-Hexamethyl-2,6,10,14,18,22-tetracosahexaene; All-trans-Squalene; 111-02-4; EINECS 203-826-1; (14E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene; 2,6,10,14,18,22-Tetracosahexaene, 2,6,10,15,19,23-hexamethyl-,; S3626_SIGMA; 7683-64-9; CHEBI:15440; 2,6,10,14,18,22-tetracosahexaene, 2,6,10,15,19,23-hexamethyl-, (6E,10E,14E,18E)-; 2,6,10,15,19,23-Hexamethyltetracosa-(2E,6E,10E,14E,18E,22E)-2,6,10,14,18,22-hexaene; AIDS017396; Spinacene; C00751; NSC93748; (all-E)-2,6,10,15,19,23-hexamethyl-2,6,10,14,18,22-tetracosahexaene; LMPR01060008; 2,6,10,14,18,22-Tetracosahexaene, 2,6,10,15,19,23-hexamethyl-, (all-E)-; CCRIS 711; (6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene;squalene |
C30H50 |
410.72 |
CC(=CCCC(=CCCC(=CCCC=C(C)CCC=C(C)CCC=C(C)C)C)C)C |
|
TCMBANKIN058851 |
linalool |
Spectrum5_000393; KBioGR_002294; KBio2_003260; KBio2_000692; (3R)-3,7-dimethylocta-1,6-dien-3-ol; W263516_ALDRICH; ZINC01529820;beta-linalool;NSC-3789; AK-50127; (+/-)-3,7-Dimethyl-1,6-octadien-3-ol; ACMC-209pf1; D0X5DC; Linalool Solution, 1000 mg/L, 1 ml (RM, ISO GUIDE 34); Linalool, primary pharmaceutical reference standard; CDOSHBSSFJOMGT-UHFFFAOYSA-N; AC1L1MRY; Howood Oil; 1,6-Octadien-3-ol, 3,7-dimethyl-, (3S)-; KSC377K8J; AC1Q1NVD; KB-179981; (+/-) LINALOOL; NCGC00259207-01; 3,6-dien-3-ol; AI3-00942; HSDB 645; (S)-Linalol; 2,7-Octadien-6-ol, 2,6-dimethyl-; 2,6-Dimethylocta-2,7-dien-6-ol; Linalool ex orange oil; (?)-3,7-Dimethyl-1,6-octadien-3-ol; DB-062552; I14-13929; FT-0614785; FCH1115719; Tox21_201658; 11024-20-7; BB_NC-00123; MolPort-001-783-101; LS-97796; 2,6-Dimethyl-2,7-octadien-6-ol; Linalool (natural); L0048; Linalool; BRN 1721488; 2,7-octadiene-6-ol; DSSTox_RID_77812; 3,7-Dimethyl-1,6-octadien-3-ol; BC207603; STL373777; AC1Q2BP3; FEMA No. 2635; ANW-37211; MCULE-2407576698; 3,6-octadien-3-ol; Natural Linalool; Linalool b; SCHEMBL20316; BBL027734; EINECS 204-811-2; LINALOOL (+); CU-01000013132-2; LINOLOOL (D); ST069326; dl-3,7-Dimethyl-3-hydroxy-1,6-octadiene; NSC 3789; CHEBI:17580; Linalool ex ho oil; Linalool, 97%; (.+/-.)-Linalool; allo-Ocimenol; GTPL2469; CCRIS 6557; ( -)-Linalool; BG00600803; NCGC00257060-01; C03985; EINECS 201-134-4; HMS2268E18; Tox21_303037; Phantol; (+-)-Linalool; SBB012353; SMR000112394; DTXSID7025502; (R)-3,7-Dimethyl-1,6-octadien-3-ol; DL -3,7-Dimethyl-3-hydroxy-1,6-octadiene; BB_NC-0123; NCGC00091688-04; (+/-)-3,7-Dimethyl-3-hydroxy-1,6-octadiene; CHEMBL25306; MLS002152908; WLN: 1Y1&U3XQ1&1U1 -,-; LINALYL ALCOHOL; Q-201306; 0-01-00-00462 (Beilstein Handbook Reference); SC-74998; CAS-78-70-6; (+/-)-linalool; LINALOOL EX BOIS DE ROSE; RTR-030706; NCGC00091688-02; Linalool, analytical standard; MFCD00008906; 1,6-OCTADIEN-3-OL, 3,7-DIMETHYL-, (-)-; Linalool, >=97%, FCC, FG; AC-551; Linolool; NSC3789; Linalool, certified reference material, TraceCERT(R); FEMA Number 2635; AKOS015901617; 3,7-Dimethyl-1, 6-octadien-3-ol; p-Linalool; Linalool ex bois de rose oil; FEMA 2635; DSSTox_CID_5502; .beta.-Linalool; EC 201-134-4; TR-030706; CTK2H7584; LS-1752; KS-00000WLW; 3,7-Dimethylocta-1,6-dien-3-ol; DSSTox_GSID_25502; WLN: 1U1XQ1&3UY1&1; 1,6-Octadien-3-ol, 3,7-dimethyl-; ( )-linalool; CCRIS 3726; Linanool; 78-70-6; NCGC00091688-03; Caswell No. 526A; AN-22986; 2,6-Dimethyl-2,7-octadiene-6-ol; (RS)-Linalool; RP21877; (1)-3,7-Dimethyl-1,6-octadien-3-ol; AN-15757; AC1Q1NVE; LINALOOL, (+-)-; NCGC00091688-01; Linalol; beta-Linalool; EINECS 245-083-6; 22564-99-4; Linalool, .beta.; 2,7-dien-6-ol; EPA Pesticide Chemical Code 128838; 1, 3,7-dimethyl-, (-)-; 3,7-dimethyl-octa-1,6-dien-3-ol;L-linalool;CJ-23937; Spectrum5_000393; LMPR0102010013; AKOS028109218; linalool ; Linalool; 1,6-Octadien-3-ol,3,7-dimethyl-, (3R)-; (R)-3,7-Dimethyl-1,6-octadien-3-ol; AC1L9E4Q; KBioGR_002294; (R)-3,7-dimethylocta-1,6-dien-3-ol; KBio2_003260; Epoxydihydrolinalool; KBio2_000692; (3R)-3,7-dimethylocta-1,6-dien-3-ol; ZINC1529820; Spectrum4_001777; C11388; linalool oxide; 126-91-0; 3U21E3V8I2; KBio3_002285; CCG-38497; CTK8F1408; KBio2_005828; KBioSS_000692; (-)-Linalool; EINECS 204-811-2; (-)-3,7-dimethyl-1,6-octadien-3-ol; LINALOOL (+); (3R)-Linalool; L-LINALOOL, REF. IND.-14<F128><144><F255>; CHEMBL235672; CHEBI:28; SpecPlus_000909; SCHEMBL891312; (-)-Linalool, analytical standard; UNII-3U21E3V8I2; KBio1_001949; J-005448; MolPort-003-666-060; NCGC00095658-01; FT-0772303; BSPBio_002785; SDCCGMLS-0066889.P001; UNII-D81QY6I88E component CDOSHBSSFJOMGT-JTQLQIEISA-N; L-Linalool; 1,6-OCTADIEN-3-OL, 3,7-DIMETHYL-, (-)-; L-Linalool, natural, >=95%, FG; SPBio_002007; Spectrum3_001173; 1,6-Octadien-3-ol, 3,7-dimethyl-, (3R)-; NCGC00095658-02; SPECTRUM1501212; SMP2_000331; (-)-Linalool, >=95.0% (sum of enantiomers, GC); Linalool, (-)-; 3R,7-dimethylocta-1,6-dien-3-ol; DivK1c_007005; (R)-linalool; (R)-(-)-3,7-Dimethyl-1,6-octadien-3-ol; DTXSID40872607; laevo-linalool; MFCD00135469; Spectrum2_001944; I14-45868; (3R)-3,7-dimethyl-1,6-octadien-3-ol; Spectrum_000212; (R)-(-)-Linalool |
C10H18O |
154.25 g/mol |
CC(=CCCC(C)(C=C)O)C |
|
TCMBANKIN058918 |
(e)-4-phenyl-3-buten-2-one |
NCI60_004369; Benzalacetone; 11960_FLUKA; Methyl styryl acetone; NCGC00091356-01; 2-Phenylvinyl methyl ketone; Acetocinnamone; Benzylidene acetone (natural); 3-BUTEN-2-ONE, 4-PHENYL-, (E)-; WLN: 1V1U1R; trans-4-Phenyl-3-butene-2-one; Benzylidene acetone; 4-Phenyl-3-buten-2-one; 122-57-6; trans-Benzylidenacetone; EINECS 217-587-6; 4-Phenyl-3-butene-2-one; Methyl styryl ketone; trans-4-Phenylbut-3-en-2-one; Styryl methyl ketone; InChI=1/C10H10O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-8H,1H3/b8-7; 241091_ALDRICH; Methyl beta-styryl ketone; NSC 5605; 4-phenylbut-3-en-2-one; 2-07-00-00287 (Beilstein Handbook Reference); Methyl .beta.-styryl ketone; 3-BUTEN,2-ONE,4-PHENYL (TRANS) BENZALACETONE; (E)-4-Phenyl-3-buten-2-one; Methyl 2-phenylvinyl ketone; ZINC01589953; Benzalaceton [German]; 1896-62-4; Ketone, methyl styryl; T5396015; trans-Benzylideneacetone; Benzalaceton; W288101_ALDRICH; AI3-52291; Methyl trans-styryl ketone; (E)-4-phenylbut-3-en-2-one; trans-Benzalacetone; Benzylideneacetone; NSC5605; EINECS 204-555-1; FEMA No. 2881; trans-4-Phenyl-3-buten-2-one; CCRIS 5319; BRN 0742047; ghl.PD_Mitscher_leg0.147; (3E)-4-phenylbut-3-en-2-one; 4-Phenylbutenone; Benzilidene acetone; 4-07-00-01003 (Beilstein Handbook Reference); AI3-00944; Benzilideneacetone; BRN 0742046; 3-Buten-2-one, 4-phenyl-; 147885_ALDRICH; (E)- benzylidene acetone; benzylideneacetone; TPBO; BWHOZHOGCMHOBV-UHFFFAOYSA-N; CJ-16027; (3E)-4-Phenylbut-3-en-2-one (Benzalacetone); W-109036; 2-Phenylvinyl methyl ketone; DSSTox_GSID_31626; A813340; Benzylidene acetone (natural); DSSTox_CID_11626; MolPort-004-288-302; t-PBO; 4-Phenyl-(E)-3-Buten-2-one; (E)-Benzylideneacetone; Benzalacetone, analytical standard; DSSTox_RID_78888; 3-Buten-2-one, 4-phenyl-, (3E)-; AKOS000119902; (E)-4-Phenyl-3-buten-2-one; LS-666; MP-2122; 1-Phenyl-1-buten-3-one; SCHEMBL312972; MFCD00008779; benzylideneacetone, (Z)-isomer; trans-4-Phenyl-3-buten-2-one, >=99%; Benzylideneacetone; TC-172858; BWHOZHOGCMHOBV-BQYQJAHWSA-N; Benzilideneacetone; RL01029; METHYL STYRYL KETONE (SEE ALSO METHYL STYRYL KETONE (1896-62-4)); Methyl styryl acetone; NCGC00091356-01; W-107746; 3-BUTEN,2-ONE,4-PHENYL (TRANS) BENZALACETONE; (E)-1-Buten-3-one, 1-phenyl; WLN: 1V1U1R; DTXSID1031626; Tox21_301598; SCHEMBL76632; TPBO; Epitope ID:120383; KB-47903; 4-Phenyl-3-butene-2-one; DB-003136; SMR001252234; 4-Phenyl-3-buten-2-one, 99%; Benzylideneacetone, >=98%, FG; AC1LCUWK; Methyl .beta.-styryl ketone; AN-22878; STK803195; 1896-62-4; Ketone, methyl styryl; UNII-B03X40BMT5; (E)-4-phenylbut-3-en-2-one; FT-0083233; (e)-3-buten-2-on; 4-PHENYL-2-BUTENONE; CCRIS 5319; (E)-Benzalacetone; E-4-phenyl-3-buten-2-one; ghl.PD_Mitscher_leg0.147; AK116927; B03X40BMT5; Benzilidene acetone; 4-07-00-01003 (Beilstein Handbook Reference); NCGC00255323-01; 4-PHENYL-3-BUTEN-2-ONE; METHYL TRANS-STYRYL KETONE (SEE ALSO METHYL STYRYL KETONE (122-57-6)); AN-50066; 3-Buten-2-one, 4-phenyl-; DS-4780; RTC-069523; trans-4-phenyl-but-3-en-2-one; I01-10159; trans-4-Phenyl-3-butene-2-one; AB1011458; ST51052045; EINECS 217-587-6; AJ-72632; A804921; (E)-Methyl Styryl Ketone; Methyl styryl ketone; Benzalacetone; Benzylideneacetone; Methyl styryl ketone; BENZ; InChI=1/C10H10O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-8H,1H3/b8-7; Methyl beta-styryl ketone; fema 2881; NSC 5605; Methyl (E)-2-Phenylethenyl Ketone; Methyl 2-phenylvinyl ketone; CHEBI:78399; Benzalaceton [German]; MLS002454416; NCGC00091356-02; P0163; trans-Benzylideneacetone; Benzalaceton; Methyl trans-styryl ketone; EINECS 204-555-1; LS-958; FEMA No. 2881; BRN 0742047; (3E)-4-phenylbut-3-en-2-one; ST2411593; I01-5963; BRN 0742046; methyltrans-styrylketone; Benzalacetone; EC 204-555-1; Acetocinnamone; 3-BUTEN-2-ONE, 4-PHENYL-, (E)-; HMS2268K18; Benzylidene acetone; Jsp003898; 122-57-6; trans-Benzylidenacetone; NSC-5605; CHEBI:217301; AK107621; Warfarin Impurity (Benzalacetone); BBL012455; trans-Phenylvinyl Methyl Ketone; MolPort-001-779-702; CAS-1896-62-4; trans-4-Phenylbut-3-en-2-one; Styryl methyl ketone; trans-1-Phenylbut-1-en-3-one; F0001-0357; 2-07-00-00287 (Beilstein Handbook Reference); 3-BUTEN,2-ONE,4-PHENYL (TRANS) BENZALACETONE; CHEMBL73639; (E)-4-Phenyl-but-3-en-2-one; Methyl beta -STYRYL ketone; RP21073; benzylideneacetone, (E)-isomer; 4-Phenylbut-3-en-2-one; AI3-52291; trans-Benzalacetone; (3E)-4-Phenyl-3-buten-2-one; Benzalaceton (german); NSC5605; ZINC19230125; trans-4-Phenyl-3-buten-2-one; 4-Phenylbutenone; KB-47501; AI3-00944; TC-069523; 1-Buten-3-one-1-phenyl |
C10H10O |
146.19 g/mol |
CC(=O)C=CC1=CC=CC=C1 |
|
TCMBANKIN058930 |
3',4'-dihydroxyacetophenone |
FT-0633465; A1-00828; Acetopyrocatechol; 1-[3,4-bis(oxidanyl)phenyl]ethanone; MFCD00016439; ANW-17366; CHEBI:69446; UNII-07OQ35LVBK; AJ-24297; 631D869; CJ-04514; FT-0693227; MCULE-9501549860; SC-67020; CC-13184; Pungenol; Qingxintong; Dihydroxyacetophenone; 98%; CD-457; BC220893; 07OQ35LVBK; 3',4'-Dihydroxyacetophenone; dihydroxyacetophenone,3,4-; 4-Acetocatechol; DTXSID30152546; CHEMBL243161; AN-48842; SCHEMBL144106; 1-(3,4-Dihydroxyphenyl)ethanone, 9CI; 4-Acetylpyrocatechol; 4-Acetopyrocatechol; SBB061719; AC1L2410; C-03021; PubChem3384; UCQUAMAQHHEXGD-UHFFFAOYSA-N; Ethanone,1-(3,4-dihydroxyphenyl)-; ST45102395; 1-(3,4-Dihydroxyphenyl)-Ethanone; CS-W008953; D2345; AE-641/00345018; C10675; 3,4-DIHYDROXYACETOPHENONE; ZB015173; 1-acetyl-3,4-dihydroxybenzene; CHM0022688; 4-acetylcatechol; 3/',4/'-Dihydroxyacetophenone; Ethanone, 1-(3,4-dihydroxyphenyl)-; FCH917098; AKOS002231977; CHEBI:19868; 1-(3,4-Dihydroxyphenyl)ethanone #; 1-(3,4-dihydroxyphenyl)ethan-1-one; 1197-09-7; I14-30850; GS-3459; AK-42350; AB0014212; 3,4'-dihydroxyacetophenone; ZINC900177; KB-28318; 1-(3,4-Dihydroxyphenyl)ethanone; Acetylpyrocatechol; A804342; ACM28631869; K418; 4CN-2675; J-004179; RTR-003294; CTK4B1452; TD1322; ACMC-1CIQZ; OR345013; LS-67369; MolPort-000-154-542; Acetophenone-3',4'-dihydroxy; AX8011148; TR-003294; ST24026855;3,4-dihydroxyacetophenone |
C8H8O3 |
152.15 g/mol |
CC(=O)C1=CC(=C(C=C1)O)O |
|
TCMBANKIN058936 |
Hypnon |
1-Phenylethanone; InChI=1/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H; C07113; Acetylbenzene; ZINC00896628; Ethanone, 1-phenyl-; Acetophenon; 00790_FLUKA; Ketone, methyl phenyl; WLN: 1VR; 442438_SUPELCO; Methyl phenyl ketone; Usaf ek-496; 42163_FLUKA; Ketone, methyl phenyl-; Benzoyl methide; AI3-00575; AIDS-017929; W200905_ALDRICH; FEMA Number 2009; RCRA waste number U004; FEMA No. 2009; Phenyl methyl ketone; NSC 7635; RCRA waste no. U004; NSC7635; A10701_ALDRICH; 98-86-2; CCRIS 1341; AC0; Acetophenone; ST5213401; EINECS 202-708-7; CHEBI:27632; Hypnone; 1-phenylethan-1-one; HSDB 969; Benzoylmethide; 1-Phenyl-1-ethanone; Benzene, acetyl-; c0117; AIDS017929; Acetofenon [Czech]; Acetylbenzol;1-(Phenyl-D5)-Ethanon; NSC 98542-d5; 1-[(2,3,4,5,6-(2)H?)PHENYL]ETHANONE; Acetophenone-(phenyl-d5), 99 atom % D; ACM28077647; DTXSID70466417; Acetophenone-2',3',4',5',6'-d5; Acetophenon-d5; pentadeuterophenyl methyl ketone; FT-0661057; Acetylbenzene-d5; Hypnone-d5; MFCD00064446; 1-(Phenyl-d5)ethanone; 1-(2,3,4,5,6-pentadeuteriophenyl)ethanone; Acetophenone-2/',3/',4/',5/',6/'-d5; SCHEMBL1332185; Methyl (Phenyl-d5) Ketone; DE155; J-016964; 28077-64-7; 1-(Phenyl-d5)-1-ethanone; MolPort-003-929-975; NSC 7635-d5; (Phenyl-d5) Methyl Ketone; Acetophenone-(phenyl-d5); Acetophenone-d5; Acetophenone-2 inverted exclamation marka,3 inverted exclamation marka,4 inverted exclamation marka,5 inverted exclamation marka,6 inverted exclamation marka-d5; Hypnon-d5; 1-Feniletanone-d5; Acetophenone-(phenyl-d5) 99 atom % D; 1-Phenylethanone-d5; Acetophenone-2'3'4'5'6-d5;phenyl-ethanone;acetophenone;phenylethanone;1-phenylethanone |
C8H8O |
120.15 g/mol |
CC(=O)C1=CC=CC=C1 |
|
TCMBANKIN058950 |
Benzoylacetone |
2-Propanone, benzoyl-; ST5197366; B11907_ALDRICH; Acetoacetophenone; 1-Phenyl-1,3-butanedione; Acetylbenzoylmethane; .alpha.-Acetylacetophenone; 1-Benzoyl-2-propanone; 1,3-BUTANEDIONE,1-PHENYL BENZOYLACETONE; AI3-10572; Benzoyl-aceton [German]; NSC100655; EINECS 202-286-4; InChI=1/C10H10O2/c1-8(11)7-10(12)9-5-3-2-4-6-9/h2-6H,7H2,1H; NSC4015; alpha-Acetylacetophenone; 4-07-00-02151 (Beilstein Handbook Reference); 1,3-Butanedione, 1-phenyl-; 1-Phenylbutane-1,3-dione; 1-Phenyl-1,3-butanedion; NSC 4015; BRN 0742413; 12830_FLUKA; 2-Acetylacetophenone; 93-91-4; 1-Benzoylacetone; 1-phenyl-1,3-butanedion; KS-00000C21; CVBUKMMMRLOKQR-UHFFFAOYSA-N; X6797; benzoyl acetone; BG00601093; Benzoyl-aceton [German]; SBB040798; NSC4015; 1-phenyl-butane-1,3-dione; omega-ACETYLACETOPHENONE; DSSTox_RID_76337; NSC 4015; 2-Acetylacetophenone; 2-Propanone, benzoyl-; NSC-100655; acetyl acetophenone; KB-64903; Acetylbenzoylmethane; DSSTox_CID_1803; .alpha.-Acetylacetophenone; ST24038177; AC1Q5F12; STR01075; MCULE-5543155182; alpha-Acetylacetophenone; AK161752; MolPort-000-667-917; 1,3-Butanedione, 1-phenyl-; Tox21_202879; 1-Phenyl-1,3-butanedion; MFCD00008786; UNII-I3RUV8U115; ZINC100006468; BG01501130; 93-91-4; 1-Benzoylacetone; I3RUV8U115; Benzoyl-aceton; 1-phenyl-1,3-butandione; 1-phenyl-3-butanedione; DSSTox_GSID_21803; AC1Q1K1U; B-0690; Acetoacetophenone; I01-6186; SC-23803; NCGC00260425-01; ST092313; 1-Benzoyl-2-propanone; NSC-4015; AI3-10572; CHEMBL3186793; ACMC-209ro2; ACT07622; BB_SC-0115; EINECS 202-286-4; DB-010994; 4-07-00-02151 (Beilstein Handbook Reference); RTR-030564; 1-Phenyl-1,3-butanedione, 99%; F3098-2657; PS-3611; AN-42671; 1-phenyl-butane-1,3 dione; BRN 0742413; BBL011014; TR-030564; 3-butanedione,1-phenyl-1; AC1L1O5P; NE10611; Benzoylacetone, 98% 50g; AKOS000119529; J-802021; CAS-93-91-4; SCHEMBL15116; LS-45895; ANW-40128; DTXSID3021803; NSC100655; 1-Phenyl-1,3-butanedione, purum, >=98.0% (GC); InChI=1/C10H10O2/c1-8(11)7-10(12)9-5-3-2-4-6-9/h2-6H,7H2,1H; FT-0622746; 1-Phenylbutane-1,3-dione; AB1003648; 1-PHENYL-1,3-BUTANEDIONE; Benzoylacetone; TRA0002644; STK802149 |
C10H10O2 |
162.18 g/mol |
CC(=O)CC(=O)C1=CC=CC=C1 |
|
TCMBANKIN059261 |
Methyl isoheptadecanoate |
XIGHSXXUOBTIJH-UHFFFAOYSA-N; SCHEMBL4087075; hexadecanoicacid,15-methyl-,methylester;15-Methylpalmitic acid methyl ester; ethyl 15-methylhexadecanoate; methyl 15-methylhexadecanoate; Hexadecanoic acid, 15-methyl-, methyl ester; M6656_SIGMA; Methyl 15-methylpalmitate; AC1NSVAX; Ethyl 15-methyl-hexadecanoate; 15-Methylhexadecanoic acid methyl ester |
C18H36O2 |
284.48 |
CC(C)CCCCCCCCCCCCCC(=O)OC |
|
TCMBANKIN059262 |
diisocapryl phthalate;Diop;diisooctyl phthalate;1,2-benzenedicarboxylic acid,diisooctyl ester |
HSDB 588; 1,2-Benzenedicarboxylic acid, diisooctyl ester; bis(6-methylheptyl) benzene-1,2-dicarboxylate; Diisocapryl phthalate; EINECS 248-523-5; Diisooctyl phthalate; 71097-28-4; Phthalic acid, bis(6-methylheptyl)ester; Phthalic acid, diisooctyl ester; AI3-27697-X (USDA); 27554-26-3; Diisooctyl 1,2-benzenedicarboxylate; 1330-91-2; NSC 6381; Di-iso-octyl phthalate; 41375-90-0; benzene-1,2-dicarboxylic acid bis(6-methylheptyl) ester; C14577; DIISOOCTYL PHTHALATE (SEE 27554-26-3); Hexaplas M/O; 25103-50-8; Corflex 880; Flexol Plasticizer DIOP; 1,2-Benzenedicarboxylic acid, 2,2-dimethyl-1,3-propanediyl diisooctyl ester; Isooctyl phthalate |
C24H38O4 |
390.6 g/mol |
CC(C)CCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCC(C)C |
|
TCMBANKIN059273 |
Diisobutyl succinate |
butanedioic acid diisobutyl ester; 925-06-4; bis(2-methylpropyl) butanedioate; EINECS 213-113-7; Succinic acid, diisobutyl ester; succinic acid diisobutyl ester; Butanedioic acid, bis(2-methylpropyl) ester; AI3-05515; diisobutyl butanedioate |
C12H22O4 |
230.3 g/mol |
CC(C)COC(=O)CCC(=O)OCC(C)C |
|
TCMBANKIN059531 |
eucalyptol |
|
C10H18O |
154.25 g/mol |
CC1(C2CCC(O1)(CC2)C)C |
|
TCMBANKIN059532 |
(1R)-1, 7, 7-trimethyl-bicyclo[2.2.1]heptan-2-one |
|
C10H16O |
152.23 g/mol |
CC1(C2CCC1(C(=O)C2)C)C |
|
TCMBANKIN059566 |
6-O-E-Feruloylajugol |
|
|
524.57 |
CC1(CC(C2C1C(OC=C2)OC3C(C(C(C(O3)CO)O)O)O)OC(=O)C=CC4=CC(=C(C=C4)O)OC)O |
|
TCMBANKIN059759 |
ligustrazine |
|
C8H12N2 |
136.19 g/mol |
CC1=C(N=C(C(=N1)C)C)C |
|
TCMBANKIN059811 |
guaiazulene |
|
C15H18 |
198.3 g/mol |
CC1=C2C=CC(=C2C=C(C=C1)C(C)C)C |
|
TCMBANKIN059943 |
1,1,6-trimethyl-2H-naphthalene; 1,1,6-trimethyl-1,2-dihydro-naphthalene; 1,2- dihydro- 1,1,6-trimethyl- naphthalene |
|
C13H16 |
172.27 g/mol |
CC1=CC2=C(C=C1)C(CC=C2)(C)C |
|
TCMBANKIN060014 |
Germacrene D |
|
C15H24 |
204.35 g/mol |
CC1=CCCC(=C)C=CC(CC1)C(C)C |
|
TCMBANKIN060164 |
3,4',5,7-tetrahydroxyflavone-3-l-rhamnoside |
|
|
|
CC1C(C(C(C(O1)OC2=C3C(=CC(=C2)O)OC(=C(C3=O)O)C4=CC=C(C=C4)O)O)O)O |
|
TCMBANKIN060440 |
pulegone |
|
C10H16O |
152.23 g/mol |
CC1CCC(=C(C)C)C(=O)C1 |
|
TCMBANKIN060566 |
β-patchoulene |
|
C15H24 |
204.35 |
CC1CCC2=C1CC3CCC2(C3(C)C)C |
|
TCMBANKIN060679 |
stigmasterol |
|
C29H48O |
412.7 g/mol |
CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C |
|
TCMBANKIN060680 |
stigmasterol-3-glucoside |
|
C35H58O6 |
574.83 g/mol |
CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C |
|
TCMBANKIN060691 |
poriferast-5-en-3beta-ol;22,23-dihydrostigmasterol;gamma-sitosterol;clionasterol;beta-dihydrofucosterol |
|
C29H50O |
414.71 g/mol |
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C |
|
TCMBANKIN060693 |
Sitogluside |
|
C35H60O6 |
576.85g/mol |
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C |
|
TCMBANKIN060705 |
methyl linoleate |
|
C19H34O2 |
294.47 |
CCC=CCC=CCC=CCCCCCCCC(=O)OC |
|
TCMBANKIN060707 |
monolinolenin |
|
C21H36O4 |
352.5 g/mol |
CCC=CCC=CCC=CCCCCCCCC(=O)OCC(CO)O |
|
TCMBANKIN060879 |
Linolic acid |
|
C18H32O2 |
280.4 g/mol |
CCCCCC=CCC=CCCCCCCCC(=O)O |
|
TCMBANKIN060922 |
Octane |
|
C8H18 |
114.23 g/mol |
CCCCCCCC |
|
TCMBANKIN060925 |
Methyl octylate |
|
C9H18O2 |
158.24 g/mol |
CCCCCCCC(=O)OC |
|
TCMBANKIN060944 |
nonanoic acid |
|
C9H18O2 |
158.24 g/mol |
CCCCCCCCC(=O)O |
|
TCMBANKIN060967 |
methyl icos-11-enoate |
|
C21H40O2 |
324.5 g/mol |
CCCCCCCCC=CCCCCCCCCCC(=O)OC |
|
TCMBANKIN060969 |
Erucic acid |
|
C22H42O2 |
338.57 |
CCCCCCCCC=CCCCCCCCCCCCC(=O)O |
|
TCMBANKIN060996 |
UND |
|
C11H24 |
156.31 g/mol |
CCCCCCCCCCC |
|
TCMBANKIN061003 |
Dodekan,dodecane,n-dodecane |
|
C12H26 |
170.33 g/mol |
CCCCCCCCCCCC |
|
TCMBANKIN061016 |
tridecane |
|
C13H28 |
184.36 g/mol |
CCCCCCCCCCCCC |
|
TCMBANKIN061029 |
myristic acid |
|
C14H28O2 |
228.37 |
CCCCCCCCCCCCCC(=O)O |
|
TCMBANKIN061030 |
Methyl myristate |
|
C15H30O2 |
242.4 g/mol |
CCCCCCCCCCCCCC(=O)OC |
|
TCMBANKIN061043 |
MYS |
|
C15H32 |
212.41 |
CCCCCCCCCCCCCCC |
|
TCMBANKIN061071 |
Ethylpalmitate |
|
C18H36O2 |
284.5 g/mol |
CCCCCCCCCCCCCCCC(=O)OCC |
|
TCMBANKIN061085 |
n-heptadecane;heptadecane;Heptadekan |
|
C17H36 |
240.5 g/mol |
CCCCCCCCCCCCCCCCC |
|
TCMBANKIN061086 |
Methyl margarate |
|
C18H36O2 |
284.48; 284.5 g/mol |
CCCCCCCCCCCCCCCCC(=O)OC |
|
TCMBANKIN061091 |
stearic acid |
|
CH3(CH2)16COOH |
284.5 g/mol |
CCCCCCCCCCCCCCCCCC(=O)O |
|
TCMBANKIN061093 |
ethyloctadecanoate |
|
C20H40O2 |
312.5 g/mol |
CCCCCCCCCCCCCCCCCC(=O)OCC |
|
TCMBANKIN061099 |
heptadecyloxirane |
|
C19H38O |
282.5 g/mol |
CCCCCCCCCCCCCCCCCC1CO1 |
|
TCMBANKIN061102 |
LFA |
|
C20H42 |
282.55 g/mol |
CCCCCCCCCCCCCCCCCCCC |
|
TCMBANKIN061106 |
Methyl icosanoate |
|
C21H42O2 |
326.56 |
CCCCCCCCCCCCCCCCCCCC(=O)OC |
|
TCMBANKIN061111 |
heneicosane |
|
C21H44 |
296.57 |
CCCCCCCCCCCCCCCCCCCCC |
|
TCMBANKIN061113 |
methyl henicosanoate |
|
C22H44O2 |
340.58 |
CCCCCCCCCCCCCCCCCCCCC(=O)OC |
|
TCMBANKIN061119 |
docosanoic acid,methyl ester |
|
C23H46O2 |
354.61 g/mol |
CCCCCCCCCCCCCCCCCCCCCC(=O)OC |
|
TCMBANKIN061124 |
Methyl tricosanoate;tricosanoicacid,methylester |
|
C24H48O2 |
368.64 |
CCCCCCCCCCCCCCCCCCCCCCC(=O)OC |
|
TCMBANKIN061129 |
tetracosanoicacid,methylester |
|
C25H50O2 |
382.66 |
CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC |
|
TCMBANKIN061207 |
Di-n-butyl phthalate |
|
C16H22O4 |
278.34 g/mol |
CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC |
|
TCMBANKIN061220 |
TBP |
|
C12H27O4P |
266.31 |
CCCCOP(=O)(OCCCC)OCCCC |
|
TCMBANKIN061276 |
deacyl-martynoside |
|
C21H32O12 |
476.47 g/mol |
CCOC1C(C(C(C(O1)CO)O)OC2C(C(C(C(O2)C)O)O)O)(C3=CC(=C(C=C3)OC)O)O |
|
TCMBANKIN061396 |
Methyl (Z)-cinnamate |
Methyl cinnamate, (Z); (Z)-3-phenylacrylic acid methyl ester; methyl (Z)-3-phenylprop-2-enoate; (Z)-3-phenylprop-2-enoic acid methyl ester |
C10H10O2 |
162.19 |
COC(=O)C=CC1=CC=CC=C1 |
|
TCMBANKIN061404 |
Clorius |
AI3-00525; NSC 9394; InChI=1/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H; 18344_FLUKA; benzoic acid methyl ester; AIDS-018029; Oil of Niobe; UN2938; ZINC00156868; AIDS018029; Methyl benzoate; CCRIS 5851; EINECS 202-259-7; Methyl benzoate [UN2938] [Keep away from food]; Essence of niobe; WLN: 1OVR; Clorius (VAN); Methylester kyseliny benzoove [Czech]; oniobe oil; 93-58-3; W268305_ALDRICH; FEMA No. 2683; Methyl benzenecarboxylate; 27614_RIEDEL; Benzoic acid, methyl ester; Methyl benzoate (natural); oxidate le; Methylbenzoate; NSC9394; Niobe oil; M29908_ALDRICH; W268313_ALDRICH; HSDB 5283; NCGC00091665-01;I01-2293; AC1L1O4G; MFCD00008421; Z19825577; benzoic acid methylester; Oxidate le; EC 202-259-7; NCGC00259381-01; UN2938; benzoic acid methyl; 102027-EP2371831A1; NCGC00256939-01; A844641; EINECS 202-259-7; NSC-9394; C20645; KSC487A6F; WLN: 1OVR; DSSTox_GSID_25572; Methyl benzenecarboxylate; Benzoic acid, methyl ester; Methyl benzoate, for synthesis, 98.0%; Methyl benzoate (natural); BB_SC-7167; UNII-6618K1VJ9T; AKOS000120640; Methylbenzoate; AN-42658; MCULE-3681534655; Methyl benzoate, analytical standard; AI3-00525; InChI=1/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H; TC-060464; DSSTox_RID_77836; ANW-75136; ZINC156868; SMR001216584; 102027-EP2272817A1; Methyl ester of benzoic acid; UN 2938; (benzoyloxy)methyl; Methylester kyseliny benzoove; 93-58-3; 102027-EP2301983A1; CHEMBL16435; KB-54731; SC-18079; J-522592; F0001-2239; 1082718-77-1; Niobe oil; NCGC00091665-01; CTK3I7062; NSC 9394; ST51015549; ACT10969; Methyl benzoate, 99%; CAS-93-58-3; BBL010502; CCRIS 5851; DSSTox_CID_5572; Methyl benzoate [UN2938] [Keep away from food]; 102027-EP2287940A1; Methyl benzoate [UN2938] [Keep away from food]; B0074; SCHEMBL7200; Essence of niobe; FEMA No. 2683; FT-0622713; Methyl benzoate, natural, >=98%, FCC, FG; STK021498; SBB058212; Tox21_303198; MLS001050185; SCHEMBL4790973; Tox21_201832; DTXSID5025572; Methyl benzoate, >=99% (GC); RP20261; 6618K1VJ9T; Methyl benzoate, >=98%, FCC, FG; AK-98161; benzoic acid methyl ester; METHYL BENZOATE; KS-00000VMQ; CHEBI:72775; methyloxycarbonylbenzene; AJ-13898; SCHEMBL10330498; ST24031184; 102027-EP2289965A1; Clorius; TRA0079771; Methylester kyseliny benzoove [Czech]; RTC-060464; Oil of niobe; ZB006457; ACMC-20aioi; NCGC00091665-02; LS-1945; MolPort-001-783-861; Oniobe oil; 102027-EP2275469A1; NSC9394; QPJVMBTYPHYUOC-UHFFFAOYSA-N; HSDB 5283 |
C8H8O2 |
136.15 |
COC(=O)C1=CC=CC=C1 |
|
TCMBANKIN061448 |
7-methoxybaicalein |
5,6-dihydroxy-7-methoxy-2-phenyl-chromen-4-one; 4H-1-Benzopyran-4-one, 5,6-dihydroxy-7-methoxy-2-phenyl-; ZINC00039288; Baicalein-7-methylether; AIDS071771; ST055981; 5,6-dihydroxy-7-methoxy-2-phenyl-chromone; 29550-13-8; 5,6-dihydroxy-7-methoxy-2-phenyl-4-chromenone; AIDS-071771; 5,6-Dihydroxy-7-methoxy-2-phenyl-4H-chromen-4-one; 7-Methoxybaicalein; 5,6-dihydroxy-7-methoxy-2-phenylchromen-4-one; Negletein |
C16H12O5 |
284.26 |
COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC=CC=C3)O)O |
|
TCMBANKIN061519 |
Oroxindin |
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(5-hydroxy-8-methoxy-4-oxo-2-phenyl-chromen-7-yl)oxy-tetrahydropyran-2-carboxylic acid; oroxindin; (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(5-hydroxy-8-methoxy-4-oxo-2-phenyl-7-chromenyl)oxy]-2-tetrahydropyrancarboxylic acid; (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(5-hydroxy-8-methoxy-4-oxo-2-phenyl-chromen-7-yl)oxy-oxane-2-carboxylic acid; (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(5-hydroxy-4-keto-8-methoxy-2-phenyl-chromen-7-yl)oxy-tetrahydropyran-2-carboxylic acid; ACon1_000851; 51059-44-0; MEGxp0_000537; (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(5-hydroxy-8-methoxy-4-oxo-2-phenylchromen-7-yl)oxyoxane-2-carboxylic acid; Wogonoside;wogonin-7-o-glucuronide |
C22H20O11 |
460.39 g/mol |
COC1=C(C=C(C2=C1OC(=CC2=O)C3=CC=CC=C3)O)OC4C(C(C(C(O4)C(=O)O)O)O)O |
|
TCMBANKIN061520 |
wogonin 5-β-d-glucoside |
|
|
|
COC1=C(C=C(C2=C1OC(=CC2=O)C3=CC=CC=C3)O)OC4C(C(C(C(O4)CO)O)O)O |
|
TCMBANKIN061521 |
Scutevulin |
80713-32-2; 2',5,7-Trihydroxy-8-methoxyflavone; SCHEMBL5162875; 5,7-dihydroxy-2-(2-hydroxyphenyl)-8-methoxy-chromen-4-one; scutevulin; CHEMBL2235250; 5,7-dihydroxy-2-(2-hydroxyphenyl)-8-methoxy-4-chromenone; 5,7,2'-trihydroxy-8-methoxyflavone; 5,7-dihydroxy-2-(2-hydroxyphenyl)-8-methoxychromen-4-one; LMPK12111303; AC1NT0AX; 5,7-dihydroxy-2-(2-hydroxyphenyl)-8-methoxy-chromone |
C16H12O6 |
300.26 |
COC1=C(C=C(C2=C1OC(=CC2=O)C3=CC=CC=C3O)O)O |
|
TCMBANKIN061541 |
baicalein 6-methylether-7-o-β-galactopyranuro-noside |
oroxylin a 7-o-glucuronide |
C22H20O11 |
460.4 g/mol |
COC1=C(C=C2C(=C1O)C(=O)C=C(O2)C3=CC=CC=C3)OC4C(C(C(C(O4)C(=O)O)O)O)O |
|
TCMBANKIN061596 |
chrysoeriol;5,7,4′-trihydroxy-3′-methoxyflavone;3'-methoxy-4',5,7-trihydroxyflavone |
35.850895 |
C16H12O6 |
300.26 g/mol |
COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O |
|
TCMBANKIN061643 |
Ganhuangenin;Viscidulin III;5,7,2',5'-tetrahydroxy-8,6'-dimethoxy flavone |
2-(3,6-dihydroxy-2-methoxy-phenyl)-5,7-dihydroxy-8-methoxy-chromen-4-one; 92519-91-0; 4H-1-Benzopyran-4-one, 2-(3,6-dihydroxy-2-methoxyphenyl)-5,7-dihydroxy-8-methoxy-; ST077153; 5,7,2',5'-Tetrahydroxy-8,6'-dimethoxy flavone; 5,7,3',6'-Tetrahydroxy-8,2'-dimethoxyflavone; Sb 1; AIDS211317; AIDS-211317; 2',5,5',7-Tetrahydroxy-6',8-dimethoxyflavone; 2-(3,6-dihydroxy-2-methoxy-phenyl)-5,7-dihydroxy-8-methoxy-chromone; 2-(3,6-dihydroxy-2-methoxyphenyl)-5,7-dihydroxy-8-methoxychromen-4-one; 2-(3,6-dihydroxy-2-methoxyphenyl)-5,7-dihydroxy-8-methoxy-4-chromenone |
C17H14O8 |
346.29g/mol |
COC1=C(C=CC(=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)OC)O)O |
|
TCMBANKIN061651 |
skullcapflavone i |
5,2'-Dihydroxy-7,8-dimethoxyflavone; Ambap41060-16-6; ZINC2392262; 4H-1-Benzopyran-4-one, 5-hydroxy-2-(2-hydroxyphenyl)-7,8-dimethoxy-; MolPort-035-706-534; SKULLCAPFLAVONEI; 2',5-Dihydroxy-7,8-dimethoxyflavone; 5-hydroxy-2-(2-hydroxyphenyl)-7,8-dimethoxychromen-4-one; 41060-16-6; W2788; 5-hydroxy-2-(2-hydroxyphenyl)-7,8-dimethoxy-chromone; 5-hydroxy-2-(2-hydroxyphenyl)-7,8-dimethoxy-chromen-4-one; LMPK12111304; AKOS032961992; Skullcapflavone I; panicolin; 8P86A8Q1G0; Skullcapflavone I, analytical standard; AC1NSZFT; 5-hydroxy-2-(2-hydroxyphenyl)-7,8-dimethoxy-4-chromenone; UNII-8P86A8Q1G0; SCHEMBL6069761;Panicolin |
C17H14O6 |
314.29 g/mol |
COC1=C(C2=C(C(=C1)O)C(=O)C=C(O2)C3=CC=CC=C3O)OC |
|
TCMBANKIN061666 |
oroxylin |
5,7-dihydroxy-6-methoxy-2-phenyl-4H-chromen-4-one; CTK1D7949; ZINC5998558; Oroxylin A; CHEMBL183513; 5,7-Dihydroxy-6-methoxy-2-phenyl-chromen-4-one; SC-69298; NP-005013; HY-N0560; MolPort-019-937-219; 5,7-dihydroxy-6-methoxy-2-phenyl-4H-1-benzopyran-4-one; AKOS015903364; Oroxylin-A; MFCD02259441; UNII-53K24Z586G; 5,7-dihydroxy-6-methoxy-2-phenylchromen-4-one; 6-Methoxybaicalein;; FT-0688332; Oroxylin A, >=98% (HPLC); CHEBI:61668; 5,7-dihydroxy-6-methoxyflavone; BDBM50430091; AC1NSZBG; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-6-methoxy-2-phenyl-; 5,7-Dihydroxy-6-methoxyflavone;; Y0150; I14-19006; baicalein 6-methyl ether; 53K24Z586G; DTXSID70197375; Baicalein 6-methyl ether;6-Methoxybaicalein; 480-11-5; SCHEMBL431423; LMPK12111096; Oroxylin; CS-4948 |
C16H12O5 |
284.26 g/mol |
COC1=C(C2=C(C=C1O)OC(=CC2=O)C3=CC=CC=C3)O |
|
TCMBANKIN061667 |
5,7,4'-trihydroxy-6-methoxyflavanone |
6-Methoxynaringenin;5,7,4'-trihydroxy-8-methoxyflavanone;AC1NT16C; 5,7,4/'-Trihydroxy-6-methoxyflavanone; AK104440; 5,7-DIHYDROXY-2-(4-HYDROXYPHENYL)-6-METHOXY-2,3-DIHYDRO-1-BENZOPYRAN-4-ONE; 5,7-Dihydroxy-2-(4-hydroxyphenyl)-6-methoxychroman-4-one; AKOS022184707; 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-2,3-dihydrochromen-4-one; 5,7,4'-trihydroxy-6-methoxydihydroflavone; 6-Methoxynaringenin; 4CN-1869; 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-3,4-dihydro-2H-1-benzopyran-4-one; ST24044117; W1586; 5,7,4'-Trihydroxy-6-methoxyflavanone; 94942-49-1; LMPK12140619 |
C16H14O6 |
302.28 g/mol |
COC1=C(C2=C(C=C1O)OC(CC2=O)C3=CC=C(C=C3)O)O |
|
TCMBANKIN061668 |
dihydrooroxylin A |
NCGC00180735-02!5,7-dihydroxy-6-methoxy-2-phenyl-2,3-dihydrochromen-4-one; (S)-5,7-Dihydroxy-6-methoxy-2-phenylchroman-4-one; SMR000440557; CHEBI:67376; 5,7-Dihydroxy-6-methoxyflavanone; AC1NSUL5; NP-001206; 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-6-methoxy-2-phenyl-, (S)-; HMS2268B15; MCULE-9660679251; Flavanone, 5,7-dihydroxy-6-methoxy-; Dihydrooroxylin; MolPort-001-740-631; 5,7-dihydroxy-6-methoxy-2-phenyl-2,3-dihydro-4H-chromen-4-one; SCHEMBL12067042; LMPK12140611; QUAPPCXFYKSDSV-UHFFFAOYSA-N; MEGxp0_000455; dihydrooroxylin a; BRD-A37403959-001-01-9; 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-6-methoxy-2-phenyl-, (2S)-; NCGC00180735-01; MLS000876753; Dihydrooroxylin A; CHEMBL1517942; ACon1_000257; 5,7-dihydroxy-6-methoxy-2-phenyl-2,3-dihydrochromen-4-one; 5-hydroxy-6-methoxyflavanone-7-O-α-D-galactopyranoside_qt; DIHYDROOROXYLIN |
C16H14O5 |
286.28 |
COC1=C(C2=C(C=C1O)OC(CC2=O)C3=CC=CC=C3)O |
|
TCMBANKIN061673 |
jatrorrizine |
Jatrorrhizine, iodide; 2,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3-ol iodide; iatrorrhizine; JATRORRHIZINE IODIDE; jatrorhizinc; CHEMBL1990190; NSC-93137; AC1NURFL; Q-100433; Ambap3621-38-3; 7,8,13,13alpha-Tetradehydro-3-hydroxy-2,9,10-trimethoxyberbinium; jatrorrhizine; 1168-00-9; KB-78657; NSC93137; jatrorrhizine; jatrorrhizine |
C20H20NO4+ |
338.4 g/mol |
COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)O)OC)OC |
|
TCMBANKIN061740 |
2,6,2',4'-tetrahydroxy-6'-methoxychalcone;7,2',6'-trihydroxy-5-methoxychalcone |
(E)-1-(2,4-dihydroxy-6-methoxyphenyl)-3-(2,6-dihydroxyphenyl)prop-2-en-1-one; AC1NT0X4 |
C16H14O6 |
302.28 g/mol |
COC1=CC(=CC(=C1C(=O)C=CC2=C(C=CC=C2O)O)O)O |
|
TCMBANKIN061751 |
Sinapaldehyde |
(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenal; 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enal; 3-(4-hydroxy-3,5-dimethoxy-phenyl)prop-2-enal; 4206-58-0; (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enal; 3,5-Dimethoxy-4-hydroxycinnamaldehyde; sinapaldehyde; 3-(4-hydroxy-3,5-dimethoxy-phenyl)acrolein; 3,5-Dimethoxy-4-hydroxycinnamaldehyde (E); (E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)prop-2-enal; MEGxp0_001085; (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enal; Sinapinaldehyde; trans-3,5-Dimethoxy-4-hydroxycinnamaldehyde; 2-Propenal, 3-(4-hydroxy-3,5-dimethoxyphenyl)-, (E)-; (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)acrylaldehyde; (E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)acrolein; C05610; ACon1_001103; 382159_ALDRICH; Sinapoyl aldehyde; (2E)-3-(4-Hydroxy-3,5-dimethoxyphenyl)-2-propenal; sinapyl aldehyde; CHEBI:27949;sinapal dehyde |
C11H12O4 |
208.21 |
COC1=CC(=CC(=C1O)OC)C=CC=O |
|
TCMBANKIN061762 |
syringaresinol |
(+)-Suyringaresinol-di-O-beta-D-glucoside_qt; (+)syringaresinol; (+)-Suyringaresinol-di-O-beta-D-glucoside; liriodendrin_qt; dl-Syringaresinol; syringaresinol diglucoside_qt; dl-sy-ringaresinol; (+)-syringaresinol-O-β-D-glucopyranoside; (+ )-syringaresinol; 4-[(1S,3aR,4S,6aR)-4-(4-hydroxy-3,5-dimethoxy-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-1-yl]-2,6-dimethoxy-phenol; 21453-69-0; C10889; (7alpha,7'alpha,8alpha,8'alpha)-3,3',5,5'-tetramethoxy-7,9':7',9-diepoxylignane-4,4'-diol; CHEBI:47; 4-[(1S,3aR,4S,6aR)-4-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-1-yl]-2,6-dimethoxyphenol; (+)-syringaresinol; (+ )- syringaresinol; dl-syringaresinol; (-)-syringaresinol; episyringaresinol; (+)-syringarosinol; (+ )-Syringaresinol-O-β-D-glucopyranoside; syringaresino; (-)-syringaresinol; (?)-syringaresinol; (+)-Syringaresinol; lirioresinol-A |
C34H46O18 |
742.72 |
COC1=CC(=CC(=C1O)OC)C2C3COC(C3CO2)C4=CC(=C(C(=C4)OC)O)OC |
|
TCMBANKIN061798 |
7,2',6'-trihydroxy-5-methoxyflavanone |
AC1NT16F; 7,2',6'-Trihydroxy-5-methoxyflavanone; 2-(2,6-dihydroxyphenyl)-7-hydroxy-5-methoxy-2,3-dihydrochromen-4-one; LMPK12140122 |
C16H14O6 |
302.28 g/mol |
COC1=CC(=CC2=C1C(=O)CC(O2)C3=C(C=CC=C3O)O)O |
|
TCMBANKIN061828 |
5-hydroxy-4',7-dimethoxy-flavone; Flavone der. |
AIDS-071717; 5-Hydroxy-4',7-dimethoxy-flavone; Genkwanin 4'-methyl ether; 5-hydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one; 5-Hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-benzopyrone; NSC94547; Flavone, 5-hydroxy-4',7-dimethoxy- (8CI); 4H-1-Benzopyran-4-one, 5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-; Flavone, 5-hydroxy-4,7-dimethoxy-; 5-Hydroxy-4',7-dimethoxyflavone; 5128-44-9; 5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-chromenone; FLAVONE,5-HYDROXY-4-7-DIMETHOXY; AIDS071717; 5'-Hydroxy-7,4'-dimethoxyflavone; NSC 94547; C10019; Apigenin dimethylether; EINECS 225-867-4; 4',7-Dimethylapigenin; 5-Hydroxy-7,4'-dimethoxyflavone; 4H-1-Benzopyran-4-one, 5-hydroxy-7-methoxy-2-(4-methoxyphenyl)- (9CI); Apigenin 7,4'-dimethyl ether; Apigenin 4',7-dimethyl ether; Flavone, 5-hydroxy-4',7-dimethoxy-; 5-hydroxy-7-methoxy-2-(4-methoxyphenyl)chromone |
C17H14O5 |
298.29 g/mol |
COC1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC)O |
|
TCMBANKIN061864 |
Skullcapflavone II |
CHEBI:9061; SCHEMBL3960981; 4H-1-Benzopyran-4-one, 5-hydroxy-2-(2-hydroxy-6-methoxyphenyl)-6,7,8-trimethoxy-; Skullcapflavon II; AC1L3Y1Y; NSC717846; skullcapflavone ii; MolPort-019-937-105; ZINC899074; AC1Q6AIS; DTXSID10203606; 5-hydroxy-2-(2-hydroxy-6-methoxy-phenyl)-6,7,8-trimethoxy-chromone; Neobaicalein; 5,2'-Dihydroxy-6,7,8,6'-tetramethoxyflavone; C10183; NP-016391; 5-hydroxy-2-(2-hydroxy-6-methoxyphenyl)-6,7,8-trimethoxy-4-chromenone; NSC-717846; 55084-08-7; CHEMBL465561; NCI60_040650; 5-hydroxy-2-(2-hydroxy-6-methoxy-phenyl)-6,7,8-trimethoxy-chromen-4-one; 5-hydroxy-2-(2-hydroxy-6-methoxyphenyl)-6,7,8-trimethoxy-4H-1-benzopyran-4-one; Skullcapflavone II, >=90% (LC/MS-UV); LMPK12111423; Scullcapflavone II; 5-hydroxy-2-(2-hydroxy-6-methoxyphenyl)-6,7,8-trimethoxychromen-4-one; MCULE-5710725548 |
C19H18O8 |
374.34 |
COC1=CC=CC(=C1C2=CC(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O)O |
|
TCMBANKIN061935 |
methyl mercaptan |
NSC-68072; SCHEMBL11319151; NSC68072;MEE;AIDS-110900; Methaanthiol [Dutch]; Metilmercaptano [Spanish]; 67782_FLUKA; methyl-mercaptan; Methylmercaptaan [Dutch]; METHANETHIOL; RCRA waste no. U153; 4-01-00-01273 (Beilstein Handbook Reference); 74-93-1; Methyl sulfhydrate; Methylthioalcohol; Thiomethanol; InChI=1/CH4S/c1-2/h2H,1H; Methylmercaptan; Methvtiolo [Italian]; Thiomethyl alcohol; Methanthiol [German]; Mercaptomethane; UN1064; C00409; BRN 1696840; Mercaptan C1; 63933-47-1; 295515_ALDRICH; FEMA No. 2716; Mercaptan methylique [French]; c0238; Methyl mercaptan [UN1064] [Poison gas]; Methyl mercaptan (natural); 17719-48-1; NSC229573; METHYL MERCAPTAN; Metilmercaptano [Italian]; CHEBI:16007; Thiomethane; HSDB 813; EINECS 200-822-1; AIDS110900; UN 1064; RCRA waste number U153 |
CH3SH |
48.11 g/mol |
CS |
|
TCMBANKIN061937 |
raphanin |
SCHEMBL2937706; UNII-NCO9MC39IO; 4-Isothiocyanato-1-(methylsulfinyl)-1-butene; MolPort-006-822-573; 4-Methylsulfinyl-3-butenyl-isothiocyanat (Sulphoraphen); L-SULFORAPHENE; 1-Butene, 4-isothiocyanato-1-(methylsulfinyl)-; 592-95-0; LS-86429; GRE-ITC; CHEMBL49659; ISOTHIOCYANIC ACID, 4-(METHYLSULFINYL)-3-BUTENYL ESTER; AC1O5FSI; Sulforaphene; NCO9MC39IO; Raphanin; 592S950; 4-methylsulfinylbut-3-enylisothiocyanate; Sulforaphen; (E)-4-isothiocyanato-1-methylsulfinylbut-1-ene; 4-methylsulfinyl-3-butenyl isothiocyanate; Ambap592-95-0; 1-Butene, 4-isothiocyanato-1-(methylsulfinyl)- (9CI); AKOS006274434; Sulphoraphen; (E)-4-Isothiocyanato-1-methylsulfinyl-1-butene; (-)4-Isothiocyanato-4R-methylsulfinyl)-1-butene; (1E)-4-isothiocyanato-1-methanesulfinylbut-1-ene; S-Sulforaphene; 13001-81-5; (R)-(E)-Sulforaphene |
C6H9NOS2 |
175.27 |
CS(=O)C=CCCN=C=S |
滇ICP备16009434号-1 |
Dai SX Lab