Plant Summary

  Plant Information

TCMBank_ID:

TCMBANKHE004907

ID:

TCMBANKHE004907

功能与主治:

Treatment of acute urinary infection, urolithiasis, acute jaundice, painful swelling in sores and carbuncies, traumatic injuries.

药用植物名:

连钱草

治疗类型:

利水渗湿药

TCM_ID_id:

1891

SymMap_id:

240

TCMSP_id:

992

   植物对应的化合物
化合物ID 化合物名 别名 分子式 分子质量 Smiles
TCMBANKIN000081 dehydrocostus lactone dehydrocostuslactone; Azuleno[4,5-b]furan-2(3H)-one,decahydro-3,6,9-tris(methylene)-, (3aS,6aR,9aR,9bS)-; SCHEMBL699070; (3aS,6aR,9aR,9bS)-decahydro-3,6,9-tris(methylene)azuleno[4,5-b]furan-2(3H)-one; (3aR,6aS,9aS,9bR)-3,6,9-tris(methylidene)octahydroazuleno[4,5-b]furan-2,8(3H,4H)-dione; (3aS,6aR,9aR,9bS)-3,6,9-trimethylene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[5,4-d]furan-2-one; Dehydro-costus lactone (6CI,7CI); CHEMBL88985; Dehydrocostus-Lactone; 71TRF5K040; AN-45158; (3aR,6aS,9aS,9bR)-3,6,9-tris(methylene)octahydroazuleno[4,5-b]furan-2,8(3H,4H)-dione; Guaia-4(15),10(14),11(13)-trien-12-oic acid, 6alpha-hydroxy-, gamma-lactone; I07-0243; CTK5D9685; Dehydrocostus lactone; UNII-71TRF5K040; C09387; AKOS015896789; (3aS,6aR,9aR,9bS)-Decahydro-3,6,9-tris(methylene)-azuleno[4,5-b]furan-2(3H)-one; [3aS-(3aalpha,6aalpha,9aalpha,9bbeta)]-Decahydro-3,6,9-tris(methylene)-azuleno[4,5-b]furan-2(3H)-one; (3aS,6aR,9aR,9bS)-3,6,9-trimethylene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one; (3aS,6aR,9aR,9bS)-3,6,9-trimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[5,4-d]furan-2-one; CS-3636; MCULE-3657815830; SC-19761; ZB015154; (-)-Dehydrocostus lactone; Dehydrocostus lactone; Epiligulyl oxide; Dehydrocostus lactone, >=98% (HPLC); 477-43-0; (3as,6ar,9ar,9bs)-3,6,9-trimethylidenedecahydroazuleno[4,5-b]furan-2(3h)-one; ZINC898477; HY-N0591; 299D482; (3aS,6aR,9aR,9bS)-3,6,9-trimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one; CCG-208469; Azuleno(4,5-b)furan-2(3H)-one, decahydro-3,6,9-tris(methylene)-, (3aS-(3aalpha,6aalpha,9aalpha,9bbeta))-; AIDS-070708; AC1L2JE2; Azuleno(4,5-b)furan-2(3H)-one, decahydro-3,6,9-tris(methylene)-, (3aS-(3a.alpha.,6a.alpha.,9a.alpha.,9b.beta.))-; (3aS,6aR,9aR,9bS)-3,6,9-Trimethylenedecahydroazuleno[4,5-b]furan-2(9bH)-one; Dehydrocostus lactone, analytical standard; D5366; AC1Q69K0; (-)-dehydrocostuslactone; (-)-dehydrocostus lactone; FT-0082396; Azuleno[4,5-b]furan-2(3H)-one,decahydro-3,6,9-tris(methylene)-; CHEBI:244418; EBD10311; NP-009694; BDBM50370831; AIDS070708; 74299-48-2; MolPort-006-822-624 C15H18O2 230.3 C=C1CCC2C(C3C1CCC3=C)OC(=O)C2=C
TCMBANKIN000084 cynaropicrin C19H22O6 346.37 C=C1CC(C2C(C3C1CC(C3=C)O)OC(=O)C2=C)OC(=O)C(=C)CO
TCMBANKIN000094 choline Choline chloride; choline hydroxide C5H14NO+ 104.17 g/mol C[N+](C)(C)CCO
TCMBANKIN000100 lauric acid NCGC00090919-01; CHEBI:30805; n-Dodecanoic acid; Hydrofol acid 1255; Wecoline 1295; Neo-Fat 12-43; 8045-27-0; WLN: QV11; AI3-00112; AIDS-049202; 61609_FLUKA; Dodecylcarboxylate; DAO; EINECS 205-582-1; L-ALFA-LYSOPHOSPHATIDYLCHOLINE, LAUROYL; CCRIS 669; W261408_ALDRICH; lauric acid ; 8000-62-2; DODECANOIC ACID (LAURIC ACID); C-1297; 7632-48-6; ST023796; NSC5026; Laurinsaeure; C02679; [2-((1-OXODODECANOXY-(2-HYDROXY-3-PROPANYL))-PHOSPHONATE-OXY)-ETHYL]-TRIMETHYLAMMONIUM; Dodecoic acid; Laurostearic acid; NCGC00090919-02; 4-02-00-01082 (Beilstein Handbook Reference); lauricacid; Ninol AA62 extra; InChI=1/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14; Lauric acid (natural); Aliphat No. 4; NSC-5026; Coconut oil fatty acids; Lauric acid, pure; 203714-07-2; NCIOpen2_009480; CH3-[CH2]10-COOH; Dodecylic acid; Neo-Fat 12; AIDS049202; C12 fatty acid; HSDB 6814; Dodecanoic acid; L556_ALDRICH; Lauric acid; LAP; Univol U-314; FEMA No. 2614; 1-Undecanecarboxylic acid; Vulvic acid; 143-07-7; BRN 1099477; Duodecylic acid; LAU; W261416_ALDRICH; LMFA01010012; L4250_SIGMA; Hydrofol acid 1295 C12H24O2 200.32 CCCCCCCCCCCC(=O)O
TCMBANKIN000281 Myricadiol AC1NSYWT; isomyricadiol; myricadiol; (3S,14bR)-8a-(hydroxymethyl)-4,4,6a,6a,11,11,14b-heptamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-ol C30H50O2 442.72 CC1(CCC2(CC=C3C4(CCC5C(C(CCC5(C4CCC3(C2C1)C)C)O)(C)C)C)CO)C
TCMBANKIN001157 germacra-1(10),4,11(13)-trien-12-oicacid C15H22O2 234.33 g/mol CC1=CCCC(=CCC(CC1)C(=C)C(=O)O)C
TCMBANKIN001863 gamma-aminobutyric acid NCGC00015043-01; gamma Aminobutyric acid; GABA hydrochloride; Piperidinic acid; Spectrum3_001385; NINDS_000616; NSC 27418; 4-Aminobutyric acid hydrochloride; LMFA01100039; gamma-Aminobutanoic acid; gamma-Aminobutyric acid; QPGLUEKHBNOAHG-UHFFFAOYSA-N; NCGC00024546-03; 28805-76-7; Aminalon; Gamarex; Tocris-0344; D00058; Oprea1_584567; DF 468; 3131-86-0; Butyric acid, 4-amino- (7CI,8CI); Immu-G; EU-0100005; NSC32044; 5959-35-3; 4-aminobutyrate hydrochloride; MCULE-3615304273; Chemical Name: .gamma.-Aminobutanoic acid; InChI=1/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7; NCGC00024546-04; SPECTRUM1500678; BUTANOIC ACID,4-AMINO 4-AMINO,BUTYRIC ACID; 0S3LEB8Q58; gamma-Aminobutyric acid-carboxy-14C; Gamastan; BSPBio_002970; PDSP1_001275; Gammalon; Spectrum2_001208; gamma-Aminobuttersaeure; 56-12-2; a-Aminobutyric acid; Gamulin; nchembio.78-comp12; Gaballon; AC1L4OHW; gamma-Aminobutyric acid hydrochloride; PDSP2_001259; SMR000058285; KBio1_000616; 4-NH2-but; Butanoic acid,4-amino-, hydrochloride (1:1); Acide amino-4- butyrique [French]; 4-aminobutyrate; MLS000028505; EINECS 227-724-1; DTXSID50208256; 4-aminobutyric acid; NCGC00024546-01; KBio2_005565; ST5330631; Butanoic acid, amino-; AK498572; CCG-213774; 4-Aminobutyric acid HCl; Reanal; BG00901312; EPA Pesticide Chemical Code 030802; Gamma-Aminobutyric acid (JAN); UNII-0S3LEB8Q58; gamma-Aminobuttersaeure [German]; NSC27418; AC1Q3E7S; to_000021; Spectrum5_001425; Lopac-A-2129; KBioSS_000429; .gamma.-Aminobutanoic acid; A2129_SIGMA; g-Aminobutyric acid; 56-12-2 (Parent); KBio3_002190; SPBio_000996; Gammalon (TN); 4-NH3-but; NCGC00024546-06; NSC51295; CTK5B0181; Gammalone; Piperidic acid; WLN: Z3VQ; SGCUT00121; IDI1_000616; GABA; EINECS 200-258-6; CCRIS 3721; gamma-aminobutyrate; Spectrum_000049; gamma-Aminobutryic acid; KBio2_000429; KBio2_002997; 70582-09-1; omega-aminobutyric acid; Spectrum4_000809; Aminobutanoic acid; 4-aminobutanoic acid,hydrochloride; butanoic acid, 4-amino-; gamma-amino-n-butyric acid; Mielomade; 4-AMINO-BUTYRATE; GAMMA(AMINO)-BUTYRIC ACID HYDROCHLORIDE; Biomol-NT_000230; 4-aminobutanoic acid hydrochloride(1:1); 4-aminobutanoic acid hydrochloride; 4-aminobutanoate; A5835_SIGMA; Lopac0_000005; GAMMA-AMINO-BUTANOIC ACID; CHEBI:16865; 4-amino-butanoic acid; 4-amino-n-butyric acid; Gammar; C00334; Mielogen; Gamma-aminobutyric acid [JAN]; Gammagee; GAMMA(AMINO)-BUTYRIC ACID; NSC45460; AI3-26812; 3-Carboxypropylamine; A7463_SIGMA; Butyric acid, 4-amino-; .gamma.-Aminobutyric acid; SCHEMBL115987; DivK1c_000616; Gammasol; AKOS024400865; Aminobutyric acid; 4-Aminobutanoic acid; KBioGR_001297; Butanoic acid, 4-amino- (9CI) C4H10ClNO2 139.58 g/mol C(CC(=O)O)CN.Cl
TCMBANKIN001934 E-3-2,4-dihydroxyphenyl-2- acrylic acid
TCMBANKIN004861 cyclododecanone I14-19848; F0001-2129; LS-191395; Z1258578308; MCULE-8431279332; InChI=1/C12H22O/c13-12-10-8-6-4-2-1-3-5-7-9-11-12/h1-11H; MolPort-000-727-778; Cyclododecanone, >=99%; NSC 77116; CTK3E8944; AK609278; NSC77116; AS-10382; KS-00000WK2; CJ-10851; NCGC00163980-02; AKOS000118913; Tox21_201557; BB_NC-0279; DB-056676; DSSTox_GSID_27322; NCGC00163980-01; EC 212-595-6; UNII-WL053118A9; SXVPOSFURRDKBO-UHFFFAOYSA-N; DSSTox_CID_7322; WL053118A9; ANW-37643; TR-037928; NCGC00259106-01; ZINC3860296; RTR-037928; ACMC-209pr1; BBL019121; NCGC00256984-01; STK301634; T8208; ST45061384; CDON; cyclododecan-1-one; W-109097; SCHEMBL190509; CAS-830-13-7; CYCLODODECANONE; HSDB 5762; 830-13-7; NSC-77116; DTXSID3027322; FT-0624164; DSSTox_RID_78407; AC1L21CI; MFCD00003722; cyclododecanon; EINECS 212-595-6; KSC448S4J; Tox21_303048; CHEMBL1883853; SBB060076; TRA0043398; 6022AF C12H22O 182.3 g/mol C1CCCCCC(=O)CCCCC1
TCMBANKIN006999 3,4-Dihydroxyphenylethyl alcohol glucoside (2R,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)ethoxy]-6-methylol-tetrahydropyran-3,4,5-triol; SCHEMBL3294556; 3,4-Dihydroxyphenethyl beta-D-allopyranoside; (2R,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)ethoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol; AC1OCD0S; 3,4-dihydroxyphenylethyl alcohol glucoside; (2R,3R,4R,5S,6R)-2-[2-(3,4-dihydroxyphenyl)ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol; (2R,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol C14H20O8 316.3 C1=CC(=C(C=C1CCOC2C(C(C(C(O2)CO)O)O)O)O)O
TCMBANKIN007676 saussureamine b Saussureamine B; SCHEMBL1230175; CHEMBL3220829 C20H27NO4 345.4 g/mol C=C1CCC2C(C(=O)OC2C3C1CCC3=C)CN4CCCC4C(=O)O
TCMBANKIN007938 ipolamiide NSC729640; NCGC00180239-01; NSC-729640; BRD-A14663384-001-01-0; ACon1_001692 C17H26O11 406.4 g/mol CC1(CCC2(C1C(OC=C2C(=O)OC)OC3C(C(C(C(O3)CO)O)O)O)O)O
TCMBANKIN010257 trilepisiumic acid
TCMBANKIN010392 costol 2-[(2R,8aR)-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-en-1-ol; AC1NSTVS C15H24O 220.35 g/mol CC12CCCC(=C)C1CC(CC2)C(=C)CO
TCMBANKIN011633 1β,6α-dihydroxycosticacid ethyl ester C17H26O4 CCOC(=O)C(=C)C1CCC2(C(CCC(=C)C2C1O)O)C
TCMBANKIN012128 ehretioside B C14H17NO7 311.29 g/mol C1=CC(=C(C=C1O)OC2C(C(C(C(O2)CO)O)O)O)CC#N
TCMBANKIN013481 (-) -istanbulin a (-)-istanbulin a C15H20O4 264.32 g/mol CC1CCC(=O)C2C1(CC3=C(C(=O)OC3(C2)O)C)C
TCMBANKIN014030 glechomafuran C15H20O3 248.32 CC1=COC2=C1CC3C(O3)(CCC4C(C2)(O4)C)C
TCMBANKIN015711 6,6-dimethyl-2-methylene-7-(3-oxobutylidene)oxepan-3-ylmethyl acetic acid ester 280.4
TCMBANKIN016452 Clerodendrin (2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-6-carboxy-4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-chromen-7-yl]oxy-oxan-3-yl]oxy-3,4,5-trihydroxy-oxane-2-carboxylic acid; Apigenin-7-O-glucuronopyranosyl(1-2)-glucuronopyranoside; (2S,3S,4S,5R,6R)-6-[[(2S,3R,4S,5S,6S)-6-carboxy-4,5-dihydroxy-2-[[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-chromenyl]oxy]-3-tetrahydropyranyl]oxy]-3,4,5-trihydroxy-2-tetrahydropyrancarboxylic acid; (2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-6-carboxy-4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-4-keto-chromen-7-yl]oxy-tetrahydropyran-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid; 119738-57-7; beta-D-Glucopyranosiduronic acid, 5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 2-O-beta-D-glucopyranuronosyl-; (2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-6-carboxy-4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid; (2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-6-carboxy-4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-chromen-7-yl]oxy-tetrahydropyran-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid C27H26O17 622.49 C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)OC5C(C(C(C(O5)C(=O)O)O)O)O)O)O
TCMBANKIN016544 isodehydrocostus lactone 68151-26-8; CHEMBL451971; Isodehydrocostus lactone; C17913; CHEBI:81376 C15H18O2 230.3 g/mol CC1=CCC2C1C3C(CCC2=C)C(=C)C(=O)O3
TCMBANKIN016800 m-Hba Kyselina 3-hydroxybenzoova [Czech]; BRN 0508160; AIDS-018037; 3-Carboxyphenol; NSC 55746; Benzoic acid, 3-hydroxy-; NSC55746; 54610_FLUKA; InChI=1/C7H6O3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H,(H,9,10; m-Salicylic acid; 3-Hydroxybenzoic acid; H20008_ALDRICH; 99-06-9; 3HB; Acido m-idrossibenzoico [Italian]; CHEBI:30764; 54620_FLUKA; T0517-3301; EINECS 202-726-5; AI3-03110; C00587; m-Hydroxybenzoic acid; Benzoic acid, m-hydroxy-; 10476-50-3; AIDS018037; Enamine_005356 C7H6O3 138.12 g/mol C1=CC(=CC(=C1)O)C(=O)O
TCMBANKIN016965 4β-methylstigmasta-7,24(28)-diene-3β-ol 426.8
TCMBANKIN017825 trans-hydroxycinnamic acid
TCMBANKIN018161 saussurea lactone saussurealactone; SCHEMBL4998367; 23527-07-3 C15H22O2 234.33 g/mol CC1C2CCC(C(C2OC1=O)C(=C)C)(C)C=C
TCMBANKIN018673 alpha-tyhasterol
TCMBANKIN019355 Celabenzine AC1NB02H; celabenzine; 9-benzoyl-2-phenyl-1,5,9-triazacyclotridecan-4-one C23H29N3O2 379.5 C1CCN(CCCNC(=O)CC(NC1)C2=CC=CC=C2)C(=O)C3=CC=CC=C3
TCMBANKIN020187 5-methoxyflavanone C16H14O3 254.28 g/mol COC1=CC=CC2=C1C(=O)CC(O2)C3=CC=CC=C3
TCMBANKIN020534 dihydrocaffeic acid C9H10O4 182.17 g/mol C1C(C=CC(=C1O)O)C=CC(=O)O
TCMBANKIN020605 oresbiusin A C10H12O5 212.2 g/mol COC(=O)C(CC1=CC(=C(C=C1)O)O)O
TCMBANKIN020708 Ethyl ferulate ethyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate; ethyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate; Ethyl-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate; Ethyl (2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate; ethyl 3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate; AIDS097067; AIDS-097067; Ethyl 4-hydroxy-3-methoxycinnamate; ethyl (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate; 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid ethyl ester; Ferulic acid, ethyl ester; 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, ethyl ester; Cinnamic acid, 4-hydroxy-3-methoxy-, ethyl ester; 4046-02-0; 320617_ALDRICH; (E)-3-(4-hydroxy-3-methoxy-phenyl)acrylic acid ethyl ester; 3-(4-hydroxy-3-methoxy-phenyl)acrylic acid ethyl ester; Ferulic acid ethyl ester; NSC14879; AI3-23714; ethylferulate; EINECS 223-745-5; ZINC00160496; Ferulic acid ethylester; Ethyl 4'-hydroxy-3'-methoxycinnamate; (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid ethyl ester C12H14O4 222.24 CCOC(=O)C=CC1=CC(=C(C=C1)O)OC
TCMBANKIN022170 arbusculin a C15H22O3 250.33 g/mol CC12CCCC(C1C3C(CC2)C(=C)C(=O)O3)(C)O
TCMBANKIN023209 cotarnine 4-methoxy-6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium hydroxide; AC1LAXDM; Cotarmine C12H15NO4 237.25 g/mol CN1CCC2=CC3=C(C(=C2C1O)OC)OCO3
TCMBANKIN027002 saussureamine a Saussureamine A; CHEMBL3220828 C20H29NO4 347.4 g/mol CC1=CCCC(=CC2C(CC1)C(C(=O)O2)CN3CCCC3C(=O)O)C
TCMBANKIN027702 Citrusin B SCHEMBL7641595; 3-[3-Methoxy-4-[(beta-D-glucopyranosyl)oxy]phenyl]-2-[2,6-dimethoxy-4-[(E)-3-hydroxy-1-propenyl]phenoxy]-1,3-propanediol; citrusin B; citrusin b; 105279-10-5 C27H36O13 568.57 COC1=CC(=CC(=C1OC(CO)C(C2=CC(=C(C=C2)OC3C(C(C(C(O3)CO)O)O)O)OC)O)OC)C=CCO
TCMBANKIN028477 (-)-Pulegone (5S)-5-methyl-2-propan-2-ylidene-cyclohexan-1-one; 328847_ALDRICH; (S)-p-Menth-4(8)-en-3-one; (S)-2-Isopropylidene-5-methylcyclohexanone; 3391-90-0; InChI=1/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h8H,4-6H2,1-3H; Cyclohexanone, 5-methyl-2-(1-methylethylidene)-, (S)-; (5S)-2-isopropylidene-5-methyl-1-cyclohexanone; (−)-Pulegone; ZINC01531630; 82579_FLUKA; (S)-(−)-Pulegone; (5S)-5-methyl-2-propan-2-ylidenecyclohexan-1-one; (5S)-2-isopropylidene-5-methyl-cyclohexan-1-one C10H16O 152.23 CC1CCC(=C(C)C)C(=O)C1
TCMBANKIN028987 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methyl-chromone 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methyl-4-chromenone; 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methylchromen-4-one; 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methyl-chromen-4-one 284.28
TCMBANKIN029834 saussureamine c SCHEMBL1231060; CHEMBL3220830; Saussureamine C C19H26N2O5 362.4 g/mol C=C1CCC2C(C(=O)OC2C3C1CCC3=C)CNC(CC(=O)N)C(=O)O
TCMBANKIN031609 (E)-9-Isopropyl-6-methyl-5,9-decadiene-2-one (5E)-6,10-DIMETHYL-9-METHYLIDENEUNDEC-5-EN-2-ONE; AC1NSX49; LMPR0103030001; 6,10-dimethyl-9-methylene-5E-undecen-2-one; (e)-9-isopropyl-6-methyl-5,9-decadiene-2-one; (5E)-9-isopropyl-6-methyl-deca-5,9-dien-2-one; (E)-6,10-Dimethyl-9-methylene-5-undecen-2-one; 6,10-Dimethyl-9-methylene-5-undecene-2-one; 6,10-dimethyl-9-methylene-undec-5E-en-2-one; 64854-44-0; (E)-6,10-dimethyl-9-methylene-undec-5-en-2-one; (E)-6,10-dimethyl-9-methyleneundec-5-en-2-one; (E)-6,10-dimethyl-9-methylidene-undec-5-en-2-one; (E)-6,10-dimethyl-9-methylideneundec-5-en-2-one C14H24O 208.34 CC(C)C(=C)CCC(=CCCC(=O)C)C
TCMBANKIN031714 glecholone
TCMBANKIN031943 methylrosmarinate methyl rosmarinate C19H18O8 374.34 COC(=O)C(CC1=CC(=C(C=C1)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O
TCMBANKIN032546 5-methoxy Nobiletin
TCMBANKIN032963 dihydrocostus lactone dihydrocostuslactone 234.37
TCMBANKIN033735 elenolide AC1NSV1T; [(4S)-2-oxo-4-[(E)-1-oxobut-2-en-2-yl]-3,4-dihydropyran-5-yl] acetate C11H12O5 224.21 g/mol CC=C(C=O)C1CC(=O)OC=C1C(=O)OC
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
TCMBANKIN036790 rosmarinic acid (2R)-3-(3,4-dihydroxyphenyl)-2-[3-(3,4-dihydroxyphenyl)acryloyl]oxy-propionic acid; 537-15-5 (ROSMARINATE); (2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]propanoic acid; AIDS-026336; Rosmarimic acid; C10489; ACon1_001068; SMR000445579; 536954_ALDRICH; Benzenepropanoic acid, .alpha.-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-3,4-dihydroxy-, (.alpha.R)-; 20283-92-5 (FREE ACID); (R)-O-(3,4-Dihydroxycinnamoyl)-3-(3,4- dihydroxyphenyl)lactic acid; 20283-92-5; (2R)-3-(3,4-dihydroxyphenyl)-2-[3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]propanoic acid; MEGxp0_000163; (2R)-3-(3,4-dihydroxyphenyl)-2-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]propanoic acid; MLS000697677; 2-[(E)-3-(3,4-dihydroxycyclohexa-1,5-dien-1-yl)-1-hydroxy-allyloxy]-3-(3,4-dihydroxyphenyl)propanoic acid; (2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-propanoic acid; SMP1_000245; AIDS026336; 3,4-Dihydroxycinnamic acid (R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethyl ester; Benzenepropanoic acid, .alpha.-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-3,4-dihydroxy-, (R-(E))-; (2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)acryloyl]oxy-propionic acid; (2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropanoic acid; Rosmarinic acid C18H16O8 360.315 c1([H])c([H])c(\C([H])=C([H])\C(=O)O[C@]([H])(C(O[H])=O)C([H])([H])c2c([H])c(O[H])c(O[H])c([H])c2[H])c([H])c(O[H])c1O[H]
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]
TCMBANKIN036829 ursolic acid ursolicacid; U6753_SIGMA; AIDS-039057; AKOS022168209; Urs-12-en-28-oic acid, 3beta-hydroxy- (8CI); 77-52-1; s2370; 3beta-Hydroxyurs-12-en-28-oic acid; SMR000445681; NSC4060; MLS000728569; Ursolic acid; TOS-BB-0966; 3beta-Hydroxy-12-ursen-28-ic acid; (1S,2R,4R,6aS,6bR,8aR,10S,12aR,12bR,14bR)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,4a,5,6,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-1H-picene-4-carboxylic acid; ursolic acid ; BSPBio_000018; NSC 167406; H719; 89797_FLUKA; EINECS 201-034-0; Prunol; BPBio1_000020; (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid; AI3-03109; CHEBI:9908; ST056289; Ursolicacid; AC-8029; Urs-12-en-28-oic acid, 3-hydroxy-, (3beta)-; Ursolic acid (Malol); CCRIS 7123; BC216337; Urson; (3beta)-3-Hydroxyurs-12-en-28-oic acid; Prestwick3_000089; Malol; C08988; AKOS015965499; SCHEMBL1699371; MolPort-016-633-342; 209545-05-1; AS-13246; AIDS039057; NSC 4060 C30H48O3 456.7 CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)[O-]
TCMBANKIN036840 protocatechuic acid 3,4-Dihydroxybenzoic acid; MLS000737807; c0120; 4-Carboxy-1,2-dihydroxybenzene; InChI=1/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11; NSC 16631; ZB000710; Benzoic acid, 3,4-dihydroxy-; 4,5-dihydroxybenzoate; 3,4-dihydrobenzoic acid; DHB; DB03946; AC1N59J2; CCRIS 6291; AIDS082396; Protocatehuic acid; BRN 1448841; protocatechuicacid; 3,4-dihydroxybenzoate; SMR000528167; D-3487; EINECS 202-760-0; 4,5-Dihydroxybenzoic acid; C00230; Catechol-4-carboxylic Acid; 3,4-DHBA; Protocatechuic acid polymer; CHEBI:36241; 2buv; 4-10-00-01459 (Beilstein Handbook Reference); AIDS-082396; 99-50-3; A846038; AIDS002961; Oxidative polymer of protocatechuic acid; 37580_FLUKA; AIDS-002961; 1ykp; Benzoic acid, 3,4-dihydroxy- (9CI); NSC16631; 3,4-bis(oxidanyl)benzoate; CHEBI:36062; 3, 4-Dihydroxybenzoic acid; TULIP017459 C18H14O8 358.299 c12c(O[C@]([H])(c3c([H])c([H])c(O[H])c(O[H])c3[H])[C@@]1([H])C(=O)O[H])c(O[H])c([H])c([H])c2\C([H])=C([H])\C(O[H])=O
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
TCMBANKIN037209 α-Cyclocostunolide AC1NSU2P; (5aR)-5a,9-dimethyl-3-methylidene-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one; alpha-cyclocostunolide 232.32 g/mol
TCMBANKIN037277 Oleanolic acid Olean-12-en-28-oic acid, 3.beta.-hydroxy-; s2334; Caryophyllin; AIDS014809; Giganteumgenin C; SMR000445561; oleanolicacid; (3-beta)-3-Hydroxyolean-12-en-28-oic acid; AIDS-014809; Olean-12-en-28-oic acid, 3-hydroxy-, (3-beta)-; EINECS 208-081-6; NSC 114945; OLEANOLIC ACID; Olean-12-en-28-oic acid, 3-hydroxy-, (3beta)-; CCRIS 6493; AS-11663; SCHEMBL1699365; Virgaureagenin B; CHEBI:37659; MLS000697656; (4aS,5S,6aS,6bR,8R,8aR,10S,12aR,12bR,14bS)-10-Hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-2H-picene-4a-carboxylic acid; AKOS022168208; O5504_SIGMA; MolPort-016-633-333; Oleanolic Acid; Olean-12-en-28-oic acid, 3-beta-hydroxy- (8CI); Oleanic acid; 3beta-Hydroxyolean-12-en-28-oic acid; 3-beta-Hydroxyolean-12-en-28-oic acid; ST057162; Olean-12-en-28-oic acid, 3beta-hydroxy- (8CI); NSC114945; Oleanolic Acid (Caryophyllin); Astrantiagenin C; Olean-12-en-28-oic acid, 3-hydroxy-, (3.beta.)-; 508-02-1; (4R,6aS,6bR,8aR,10S,12aR,12bR,14bR)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-3,4,4a,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydro-1H-picene-4-carboxylic acid; (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid; oleanolic acid C30H48O3 457 C1([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])C([H])=C([C@@]([H])(C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C2([H])[H])[C@@]2(C(=O)O[H])C([H])([H])C3([H])[H])[C@@]34C( [H])([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])C5([H])[H])[C@@]5([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]1([H])O[H]
TCMBANKIN037969 cosmosiin CHEMBL487995; SR-05000002285; Galactosyl-7-apigenin; EINECS 209-430-5; 5-Hydroxy-2-(4-hydroxyphenyl)-7-(4,5,6-trihydroxy-3-(hydroxymethyl)(2-oxanyloxy))-4H-chromen-4-one; Cosemetin; 5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one; COSMOSIIN; 4H-1-Benzopyran-4-one, 7-(beta-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)- (9CI); Apigenin, 7-beta-D-glucopyranoside; Apigenin 7-O-beta-D-glucopyranoside; 7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; Cosmosiine; 7-O-(beta-D-Glucosyl)apigenin; Thalictiin; SR-05000002285-3; A831652; Cosmosioside; 23598-21-2; NSC 407303; Apigetrin; NCGC00163513-01; CCG-208379; 62532-75-6; 5-hydroxy-2-(4-hydroxyphenyl)-7-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyran-4-one; UNII-7OF2S66PCH; SR-05000002285-2; 5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one; AC1NUZ8G; Apigenin, 7-beta-D-galactopyranoside; 7-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-(4-hydroxyphenyl)-5-oxidanyl-chromen-4-one; 7OF2S66PCH; Cosmosiin (8CI) C20H18O10 418.351 c1(O[H])c([H])c([H])c(C2=C([H])C(=O)c3c(c([H])c(O[C@]4([H])O[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]4([H])O[H])c([H])c3O[H])O2)c([H])c1[H]
TCMBANKIN039168 Zaluzanin C 246.3 g/mol
TCMBANKIN039567 norbergenin norbergenin; DTXSID30229787; AC1Q6O1D; AC1L2JFB; norbergenin ; AIDS071138; Pyrano(3,2-c)(2)benzopyran-6(2H)-one, 3,4,4a,10b-tetrahydro-3,4,8,9,10-pentahydroxy-2-(hydroxymethyl)-, (2R-(2alpha,3beta,4alpha,4aalpha,10bbeta))-; (2S,3R,4R,4aS,10bR)-3,4,8,9,10-pentahydroxy-2-(hydroxymethyl)-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-6-one; CTK5E6939; (2s,3r,4r,4as,10br)-3,4,8,9,10-pentahydroxy-2-(hydroxymethyl)-3,4,4a,10b-tetrahydropyrano[3,2-c]isochromen-6(2h)-one; (2S,3R,4R,4aS,10bR)-3,4,8,9,10-pentahydroxy-2-methylol-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-6-one; 79595-97-4; AIDS-071138; CHEMBL463164 C13H14O9 314.245 c1(O[H])c(O[H])c([C@]([H])(O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]2([H])O[H])[C@]2([H])OC3=O)c3c([H])c1O[H]
TCMBANKIN039755 Glechomanolide 232.318
TCMBANKIN039887 Stilbostemin B 228.29 g/mol
TCMBANKIN040054 Cynanuriculoside A cynanuriculoside a C55H88O21 1085.43 [C@@]1([H])(O[C@@]2([H])C([H])([H])[C@@]([H])(OC([H])([H])[H])[C@@]([H])(O[C@@]3([H])C([H])([H])[C@@]([H])(OC([H])([H])[H])[C@@]([H])(O[C@@]4([H])C([H])([H])[C@@]([H])(OC([H])([H])[H])[C@@]([H])(O[C@@ ]5([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(C([H])([H])O[H])O5)[C@@]([H])(C([H])([H])[H])O4)[C@@]([H])(C([H])([H])[H])O3)[C@@]([H])(C([H])([H])[H])O2)C([H])([H])C([H])([H])[C@@]6(C ([H])([H])[H])C(=C([H])C([H])([H])[C@]7(O[H])[C@]6([H])C([H])([H])[C@@]([H])(OC(=O)\C([H])=C(/C([H])([H])[H])\C([H])(C([H])([H])[H])C([H])([H])[H])[C@@]([C@@]([H])(O[H])C([H])([H])C8([H])[H])(C([H])([ H])C(=O)C([H])([H])[H])[C@@]78O[H])C1([H])[H]
TCMBANKIN040526 β-cyclocostunolide beta-cyclocostunolide C15H20O2 232.32 g/mol CC12CCCC(=C)C1C3C(CC2)C(=C)C(=O)O3
TCMBANKIN040699 Saxitoxin BDBM190233; ZINC8552277; GTPL2625; DTXSID3074313; [(R,7aS,7bS)-2-amino-7,7-dihydroxy--imino-H,H,H,1H,5H,6H,7H,7bH-pyrrolo[1,2-c]purin--yl]methyl carbamate; SCHEMBL49687; SCHEMBL13028580; Saxitoxin in acetic acid (determination in mussel); [(3AS,4R,10AS)-2,6-DIAMINO-10,10-DIHYDROXY-1H,3AH,4H,8H,9H-PYRROLO[1,2-C]PURIN-4-YL]METHYL CARBAMATE; US9174999, Table 1, Compound 1; [(3AS,4R,10AS)-2-AMINO-10,10-DIHYDROXY-6-IMINO-3H,3AH,4H,5H,8H,9H-PYRROLO[1,2-C]PURIN-4-YL]METHYL CARBAMATE 299.29 g/mol
TCMBANKIN040836 lappadilactone CHEMBL502902 C30H38O6 494.6 g/mol CC1(CCC(=O)C2(C1C3C(CC2)C(=C)C(=O)O3)C)CC4(C5CCC(=C)C6CCC(=C)C6C5OC4=O)O
TCMBANKIN042405 β-amyrin palmitate beta-amyrin palmitate C46H80O2 665.1 g/mol CCCCCCCCCCCCCCCC(=O)OC1CCC2(C(C1(C)C)CCC3(C2CC=C4C3(CCC5(C4CC(CC5)(C)C)C)C)C)C
TCMBANKIN042858 Luteolin Prestwick3_000870; TNP00073; 2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-olate luteolin-7-olate(1-); 62696_FLUKA; ACon1_000223; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-chromenone; Digitoflavone; SMR000326896; luteolin-7-olate anion; 4H-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-; CHEBI:57545; FLAVONE, 3',4',5,7-TETRAHYDROXY-; 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-benzopyrone; A827664; BPBio1_001011; MEGxp0_000143; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy- (9CI); Weld Lake; BSPBio_000919; CHEBI:15864; 2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-olate; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromen-4-one; Oprea1_849964; Yama kariyasu; 4-[5,7-bis(oxidanyl)-4-oxidanylidene-chromen-2-yl]-2-oxidanyl-phenolate; ST024703; luteolin ; NCGC00016467-02; EINECS 207-741-0; AIDS001406; NCGC00142375-02; C.I. Natural Yellow 2; S00110; Luteoline; Luteolin; Luteolol; 3′,4′,5,7-Tetrahydroxyflavone; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-; Prestwick_122; 5,7,3',4'-Tetrahydroxyflavone; BRN 0292084; CAS-491-70-3; 4-(5,7-dihydroxy-4-oxo-1-benzopyran-2-yl)-2-hydroxyphenolate; ZINC00008613; NCGC00142375-01; Prestwick1_000870; AIDS-001406; C01514; CCRIS 3790; 3',4',5,7-Tetrahydroxyflavone; Flacitran; Cyanidenon 1470; MLS000697655; SPBio_002840; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one; Lopac0_000660; NCGC00016467-01; C.I. 75590; Prestwick0_000870; 491-70-3; 2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-oxylato-4H-1-benzopyran-4-one; 5-18-05-00296 (Beilstein Handbook Reference); Prestwick2_000870; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one; L9283_SIGMA; 3′,4′,5,7-Tetrahydroxyflavone; SMP2_000042; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromone C15H10O6 286.236 c1(O[H])c([H])c(OC(c2c([H])c([H])c(O[H])c(O[H])c2[H])=C([H])C3=O)c3c(O[H])c1[H]
TCMBANKIN043113 α-amyrin stearate C48H84O2 CCCCCCCCCCCCCCCCCC(=O)OC1CCC2(C3CCC4C5=CC(CCC5(CCC4(C3(CCC2C1(C)C)C)C)C)(C)C)C
TCMBANKIN043408 11β,13-Dihydrocostunolide
TCMBANKIN043755 germacra-1(10),4,11(13)-trien-12-ol NDZJCEAHBZKIDU-MZONOFEJSA-N; SCHEMBL336313; C19676; CHEBI:62090; 2-[(1R,3E,7E)-4,8-dimethylcyclodeca-3,7-dien-1-yl]prop-2-en-1-ol C15H24O 220.35 g/mol CC1=CCCC(=CCC(CC1)C(=C)CO)C
TCMBANKIN044494 isololiolide C11H16O3 196.24 g/mol CC1(CC(CC2(C1=CC(=O)O2)C)O)C
TCMBANKIN044648 11β,13-dihydro-3-epizaluzanin c C15H20O3 CC1C2CCC(=C)C3CC(C(=C)C3C2OC1=O)O
TCMBANKIN045291 stilbostemin D stilbostemin d C16H18O3 258.31 CC1=C(C=C(C=C1O)CCC2=CC=CC=C2OC)O
TCMBANKIN045648 alpha-amyrin sterate
TCMBANKIN046249 camphene CHEMBL506889; CJ-04639; (-)-camphene; (-)-Camphene, technical grade, 75% (90% as camphene and fenchene); L-Camphene; DSSTox_RID_81702; (1S,4R)-2,2-dimethyl-3-methylenebicyclo[2.2.1]heptane; Bicyclo(2.2.1)heptane, 2,2-dimethyl-3-methylene-, (1S)-; (1S)-2,2-Dimethyl-3-methylenebicyclo(2.2.1)heptane; DSSTox_CID_26538; FCH1121419; (1S,4R)-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane; 5794/4/7; C06305; (-) camphene; ZB015525; CC-00037; M5YAV509FN; UNII-G3VG94Z26E component CRPUJAZIXJMDBK-BDAKNGLRSA-N; DTXSID3046538; ZINC968230; CHEBI:89; (1S,4R)-camphene; (-)-Comphene; cam phene; DSSTox_GSID_46538; NCGC00166100-01; (-)-(1S,4R)-camphene; Bicyclo(2.2.1)heptane, 2,2-dimethyl-3-methylene-, (1S,4R)-; CAS-5794-04-7; EINECS 227-337-8; UNII-M5YAV509FN; CRPUJAZIXJMDBK-BDAKNGLRSA-N; (1S)-2,2-Dimethyl-3-methylenebicyclo[2.2.1]heptane; Tox21_112314 C10H16 136.23 g/mol CC1(C2CCC(C2)C1=C)C
TCMBANKIN046503 lindestrene AC1NSXL4; SCHEMBL13772561; (8aS)-3,8a-dimethyl-5-methylidene-4,4a,6,9-tetrahydrobenzo[f][1]benzofuran C15H18O 214.3 CC1=COC2=C1CC3C(=C)CC=CC3(C2)C
TCMBANKIN046658 glycitein C14536; 7-Hydroxy-3-(4-hydroxyphenyl)-6-methoxy-4H-1-benzopyran-4-one; ST5331727; 7-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-4-chromenone; 7-hydroxy-3-(4-hydroxyphenyl)-6-methoxychromen-4-one; 4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-; 7-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-chromone; 40957-83-3; 7,4'-Dihydroxy-6-methoxyisoflavone; Glycitein; 7-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-chromen-4-one C16H12O5 284.263 C([H])([H])([H])Oc1c([H])c(C(C(c2c([H])c([H])c(O[H])c([H])c2[H])=C([H])O3)=O)c3c([H])c1O[H]
TCMBANKIN046757 3,4β-dihydrosamaderine c C19H26O7 CC1CC(C(C2(C1CC(=O)C34C2C(C5C(C3C(=O)O5)(OC4)C)O)C)O)O
TCMBANKIN047202 Campherenol NCGC00385952-01_C15H26O_1,7-Dimethyl-7-(4-methyl-3-penten-1-yl)bicyclo[2.2.1]heptan-2-ol; 4,7-dimethyl-7-(4-methylpent-3-enyl)bicyclo[2.2.1]heptan-3-ol; campherenol; MCULE-1605960082; AC1NSTBN C15H26O 222.37 CC(=CCCC1(C2CCC1(C(C2)O)C)C)C
TCMBANKIN047512 13-sulfo-dihydroreynosin CC12CCC3C(C(=O)OC3C1C(=C)CCC2O)CS(=O)(=O)O
TCMBANKIN049101 saussureal
TCMBANKIN049148 beta-ionone (E)-4-(2,6,6-trimethyl-1-cyclohexenyl)but-3-en-2-one; (Z)-4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one; BB_NC-0321; 4-(2,6,6-Trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-one; NSC 402758; beta-Cyclocitrylideneacetone; SCHEMBL813343; AIDS-032326; AIDS032326; EINECS 238-969-9; 4-(2,6,6-trimethyl-1-cyclohexenyl)but-3-en-2-one; .beta.-Cyclocitrylideneacetone; 4-(2,6,6-Trimethyl-1-cyclohexenyl)-3-buten-2-one; W259500_ALDRICH; 4-(2,6,6-Trimethyl-1-cyclohexen-l-yl)-3-buten-2-one; NSC46137; WLN: L6UTJ A1U1V1 B1 F1 F1; e-4-(2,6,6-trimethyl-cyclohexyl)-but-3-en-2-one; LS-871; EINECS 252-325-4; YJRODKCOICMRBO-BQYQJAHWSA-N; LS-47337; 35031-06-2; ST5306954; trans-.beta.-Ionone; 3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (E); IONONE, BETA; EINECS 252-912-5; β- Ionone; 58180_FLUKA; (3E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one; 4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one; .beta.-Ionone isomer # 1; C12287; NSC402758; (3E)-4-(2,2,6-TRIMETHYLCYCLOHEXYL)BUT-3-EN-2-ONE; 14901-07-6; 4-(2,6,6-Trimethyl-2(1)-cyclohexen-1-yl)-3-buten-2-one; .beta.-Ionone isomer # 2; SCHEMBL813341; Dihydroionone; ZINC03881456; AC1O5BV0; Ionone, .beta.-; 3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (3E)-; CCRIS 6249; (E)-4-(2,2,6-trimethylcyclohexyl)but-3-en-2-one; 3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (E)-; I12603_ALDRICH; InChI=1/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7; β-ionone; W259519_ALDRICH; .beta.-Ionone; beta-Ionone; 79-77-6; 3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-; .beta.-Ionene; 4-(2,2,6-Trimethylcyclohexyl)-3-buten-2-one; 36208-32-9 C13H20O 192.297 C1([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C(\C([H])=C([H])\C(=O)C([H])([H])[H])=C(C([H])([H])[H])C([H])([H])C1([H])[H]
TCMBANKIN049185 dehydro-alpha-curcumene 4999-58-0; AC1NSUA4; 1-methyl-4-(6-methylhepta-1,5-dien-2-yl)benzene; Bisabola-1,3,5,7(14),10-pentaene; dehydro-α-curcumene; YAZBKDRDYPAXAO-UHFFFAOYSA-N C15H20 200.32 g/mol CC1=CC=C(C=C1)C(=C)CCC=C(C)C
TCMBANKIN049441 Lappalone CHEMBL518009; Lappalone 290.4 g/mol
TCMBANKIN049884 germacra-1(10),4,11(13)-trien-12-al CHEBI:62091; C19677; 2-[(1R,3E,7E)-4,8-dimethylcyclodeca-3,7-dien-1-yl]prop-2-enal; SCHEMBL4998564; 2-[(1R,3E,7E)-4,8-dimethylcyclodeca-3,7-dien-1-yl]acrylaldehyde C15H22O 218.33 g/mol CC1=CCCC(=CCC(CC1)C(=C)C=O)C
TCMBANKIN050464 colartin CHEMBL459399; 3abeta,4,5,5a,6,7,8,9,9abeta,9balpha-Decahydro-3beta,5aalpha,9alpha-trimethyl-6alpha,9-dihydroxynaphtho[1,2-b]furan-2(3H)-one C15H24O3 252.35 g/mol CC1C2CCC3(CCCC(C3C2OC1=O)(C)O)C
TCMBANKIN050486 13-Sulfo-dihydrosantamarine
TCMBANKIN057915 FUM U-1149; 110-17-8; 2-Butenedioic acid (E)-; 4-02-00-02202 (Beilstein Handbook Reference); FC 33; Kyselina fumarova; maleic acid; Fumarsaeure; 2-Butenedioic acid (2E)-; 240745_ALDRICH; 2-Butenedioic acid, (E)-; WLN: QV1U1VQ-T; Lichenic acid; LS-500; NSC2752; AIDS-008707; CCRIS 1039; 03761_FLUKA; Lichenic acid (VAN); Caswell No. 465E; W248800_ALDRICH; 2-butenedioic acid, (2E)-; (2E)-2-butenedioic acid; 6915-18-0; Boletic acid; EPA Pesticide Chemical Code 051201; FEMA No. 2488; HSDB 710; Fumaric acid (NF); NCIOpen2_003792; Tumaric acid; 1,2-Ethenedicarboxylic acid, trans-; CHEBI:18012; trans-Butenedioic acid; trans-1,2-Ethylenedicarboxylic acid; FC 33 (acid); fumaric acid; 2-Butenedioic acid; C00122; MALEATE; Allomalenic acid; 110-16-7; AIDS008707; trans-2-Butenedioic acid; AI3-24236; 623158-97-4; But-2-enedioic acid; D02308; NCI60_002239; 1,2-Ethylenedicarboxylic acid, (E); FEMA Number 2488; F8509_SIGMA; NCGC00091192-01; NSC-2752; trans-but-2-enedioic acid; Butenedioic acid, (E)-; Usaf ek-p-583; E-2-Butenedioic acid; BRN 0605763; EINECS 203-743-0; (2E)-but-2-enedioic acid; 2-Butenedioic acid (2E)- (9CI); (E)-2-butenedioic acid; nchembio.2007.47-comp1; Kyselina fumarova [Czech]; BUTENE-1,4-DIOIC ACID; Allomaleic acid; NCIOpen2_004870; Fumaric acid (8CI); CHEBI:22958; cis-butenedioic acid; 2-(E)-Butenedioic acid; MAE; fumaric acid; maiyenic acid; Maleic anhydride, mono(castor oil) ester; Maleic acid [NA2215] [Corrosive]; H2male; AIDS-025527; 2-Butenedioic acid (2Z)-, monocastor oil alkyl esters; InChI=1/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1; CCRIS 1115; 2-Butenedioic acid, (Z)-; 2-Butenedioic acid (Z)- (9CI); 44742-89-4; NCGC00090970-01; (Z)-butenedioic acid; 2-Butenedioic acid (Z)-; 2-butenedioic acid, (2Z)-; Kyselina maleinova [Czech]; (Z)-2-BUTENEDIOIC ACID; cis-but-2-enedioic acid; 2-Butenedioic acid (2Z)- (9CI); ST5213949; WLN: QV1U1VQ-C; Maleic acid (8CI); NSC 25940; 1,2-Ethylenedicarboxylic acid, (Z); 2-Butenedioic acid (2Z)-; (2Z)-but-2-enedioic acid; AI3-01002; 4-02-00-02199 (Beilstein Handbook Reference); 63189_FLUKA; CHEBI:18300; Malezid CM; NSC25940; NA2215; 10237-70-4; AIDS025527; cis-2-Butenedioic acid; EINECS 203-742-5; Maleinic acid; C01384; Malenic acid; HSDB 666; Scotchbond Multipurpose Etchant; BRN 0605762; M0375_SIAL; cis-1,2-Ethylenedicarboxylic acid; Maleic acid [NA2215] [Corrosive]; Butenedioic acid, (Z)-; 68307-91-5; but-2-enoic acid; methanoic acid; A802157; fumaricacid; 2-butenoic acid; formic acid C4H4O4 116.07 C(=CC(=O)O)C(=O)O
TCMBANKIN057923 glycin Tocris-0219; G5417_SIGMA; WLN: Z1VQ; LS-218; 56-40-6; Glycosthene; G7126_SIGMA; Hgly; Glycine-UL-14C hydrochloride; EINECS 200-272-2; Padil; Polyglycine II; AB-131/40217813; Acido aminoacetico [INN-Spanish]; Glycine [INN]; G7403_SIGMA; CCRIS 5915; GLY (IUPAC abbrev); W328707_ALDRICH; Glycine-2-3H; G3649_SIGMA; InChI=1/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5; Glycine iron sulphate (1:1); NSC 25936; P8791_SIGMA; Leimzucker; Gyn-Hydralin; D00011; Aminoessigsaeure; 50046_FLUKA; Acidum aminoaceticum [INN-Latin]; Aminoethanoic acid; aminoacetic acid; AI3-04085; 33242-26-1; H2N-CH2-COOH; C00037; G8898_SIGMA; Glyzin; G0398_SIGMA; Amitone; Hampshire glycine; Glycocoll; G5523_SIGMA; Acide aminoacetique [INN-French]; Glycine-carboxy-14C hydrochloride; Glicina [INN-Spanish]; Glycinum [INN-Latin]; Glykokoll; ST5213923; 15527_RIEDEL; 7490-95-1; NChemBio.2007.13-comp1; Glycine, non-medical; BPBio1_001222; Biomol-NT_000195; 57678-19-0; Glycolixir; 63183-41-5; 87867-94-5; HSDB 495; AIDS071643; FEMA No. 3287; CHEBI:15428; 33226_RIEDEL; Sucre de gelatine; 17829-66-2; 410225_SIAL; NCGC00024503-01; 2-Aminoacetic acid; Aminoazijnzuur; NSC25936; Glycine (JP15/USP); polyglycine; 52955-63-2; carbonocyanidic acid; 32817-15-5; 2-aminoethanoic acid; Aciport; L-Glycine; Glicoamin; 25718-94-9; Acetic acid, amino-; G8790_SIGMA; AIDS-071643; NCGC00024503-02; Glycine, homopolymer (VAN); glycine;CHEMBL451140; N'-[N-(2a,3b-Dihydroxy-12-oleanen-28-oyl)-L-alanyl]-glycine; 2-[[(2S)-2-[[(4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-10,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carbonyl]amino]propanoyl]amino]acetic acid;GLY C2H5NO2 75.07 g/mol C(C(=O)O)N
TCMBANKIN057963 succinic acid NCGC00159372-02; AIDS017693; Bernsteinsaure; succ; nchembio856-comp9; SIN; Butanedioic acid diammonium salt; InChI=1/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8; Bernsteinsaeure; ST5213944; nchembio.2007.47-comp2; 4-02-00-01908 (Beilstein Handbook Reference); 623158-99-6; LMFA01170043; BRN 1754069; butanedioic acid; Succinic acid (8CI); acide butanedioique; Dihydrofumaric acid; Katasuccin; 110-15-6; WLN: QV2VQ; FMR; AI3-06297; EINECS 203-740-4; Kyselina jantarova [Czech]; Amber acid; 398055_SIAL; 1,4-Butanedioic acid; S3674_SIAL; succinicacid; Ethylene dicarboxylic acid; 1,4-BUTANEDIOIC ACID (SUCCINIC ACID); S7501_SIAL; NSC25949; Bernsteinsaure [German]; acide succinique; NSC 106449; HOOC-CH2-CH2-COOH; Butandisaeure; 1,2-Ethanedicarboxylic acid; Acidum succinicum; Asuccin; C00042; Wormwood acid; ethylenesuccinic acid; Wormwood; 14078_FLUKA; Butanedionic acid; NSC106449; W502707_ALDRICH; W502715_ALDRICH; NCGC00159372-03; AIDS-017693; spirit of amber; A 12084; CHEBI:15741; Butanedioic acid (9CI); S9512_SIGMA; 14079_FLUKA; HSDB 791; Amber acid; amber acid C4H6O4 118.09 g/mol C(CC(=O)O)C(=O)O
TCMBANKIN057964 Immune globulin from;gaba;γ-aminobutyricacid;aminobutyric acid γ-aminobutyric acid C4H9NO2 C(CC(=O)O)CN
TCMBANKIN057966 CIR C00327; EINECS 206-759-6; (2S)-2-amino-5-(carbamoylamino)pentanoic acid; (2S)-2-amino-5-ureidopentanoic acid; C7629_SIGMA; (2S)-2-amino-5-ureido-pentanoic acid; Citrulline, L-; alpha-Amino-delta-ureidovaleric acid; NSC 27425; (2S)-2-amino-5-(aminocarbonylamino)pentanoic acid; Ornithine, N5-(aminocarbonyl)-; N5-(Aminocarbonyl)ornithine; Ornithine, N5-carbamoyl-, L- (8CI); N(5)-(aminocarbonyl)-L-ornithine; SBB012374; N(delta)-Carbamylornithine; N(5)-carbamoyl-L-ornithine; (2S)-2-amino-5-ureido-valeric acid; (S)-2-Amino-5-ureidopentanoic acid; SMP1_000146; 2-Amino-5-ureidovaleric acid; NCGC00142602-01; L-2-Amino-5-ureidovaleric acid; delta-Ureidonorvaline; CHEBI:16349; citrulline; AB1007188; AC1LCUKE; d-citrullin; AK-58500; (R)-2-Amino-5-ureidopentanoic acid; MFCD00216469; KB-49607; D-Citruline; AX8031821; D-Ornithine,N5-(aminocarbonyl)-; W-204205; H-D-Orn(carbamoyl)-OH; (2R)-5-(aminocarbonylamino)-2-azanyl-pentanoic acid; DTXSID90348463; MolPort-003-928-964; 594C519; H-D-Cit-OH; D-Citrulline, >=99.0%; CTK4C0068; N(5)-carbamoyl-D-ornithine; AmbotzHAA1014; AJ-33795; AB0012765; ST24035348; ACM13594520; D-Citrulline; A807006; PubChem17499; TC-108738; J-300336; CHEBI:49007; SC-10122; C6H13N3O3; SCHEMBL437142; ANW-19993; AM82460; AS-12983; GTPL4683; ZINC2166829; FT-0659369; 13594-51-9; B-7191; D0V2DT; (2R)-2-amino-5-(carbamoylamino)pentanoic acid C6H13N3O3 175.19 g/mol C(CC(C(=O)O)N)CNC(=O)N
TCMBANKIN058017 3-Epizaluzanin C CHEBI:81375; AC1LAM4X; (3aS,6aR,8R,9aR,9bS)-8-hydroxy-3,6,9-trimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[5,4-d]furan-2-one; CHEMBL461700; AIDS070709; 67667-64-5; AIDS-070709; (3aS,6aR,8R,9aR,9bS)-8-hydroxy-3,6,9-trimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one; Isozaluzanin C; (3as,6ar,8r,9ar,9bs)-8-hydroxy-3,6,9-trimethylene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[5,4-d]furan-2-one; SCHEMBL17214374; (3aS,6aR,8R,9aR,9bS)-8-hydroxy-3,6,9-trimethylene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[5,4-d]furan-2-one; C17912; CTK7F2785; (3aS,6aR,8R,9aR,9bS)-8-hydroxy-3,6,9-trimethylene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one; 3-epizaluzanin c; Dehydrocostus lactone der.;zaluzain c;zaluzanin c;isozaluzanine C15H18O3 246.3 g/mol C=C1CCC2C(C3C1CC(C3=C)O)OC(=O)C2=C
TCMBANKIN058088 isodemethylwedelolactone Isodemethylwedelolacton; 2,4,8,9-tetrahydroxy-[1]benzofuro[3,2-c]chromen-6-one; Isodemethylwedelolactone; AC1NSWZZ; 350681-33-3; ZINC14726551; isodemethylwedelo lactone; MolPort-039-339-151 C15H8O7 300.22 g/mol C1=C(C=C(C2=C1C3=C(C4=CC(=C(C=C4O3)O)O)C(=O)O2)O)O
TCMBANKIN058114 trans-caffeic acid 3-(3,4-dihydroxy-phenyl)-acrylic acid; caffeic acid; Caffeate; Lopac-C-0625; 71693-97-5; DivK1c_006624; KBio2_007302; (Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; NCGC00015206-02; CAS-3331-39-5; 60020_FLUKA; AI3-63211; 3-(3,4-Dihydroxyphenyl)-2-propenoic acid polymer; (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; NSC623438; 4-(2'-Carboxyvinyl)-1,2-dihydroxybenzene; KBio2_004734; (2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; CHEMBL1320034; AIDS-002287; AIDS002287; 501-16-6; CHEBI:36281; Prestwick1_000902; KBio1_001568; 3-(3,4-Dihydroxyphenyl)-2-propenoic acid; AKOS000273846; OR1165; SMR000058214; Spectrum2_001612; 3,4-dihydroxycinnamate; (Z)-3-(3,4-dihydroxyphenyl)acrylic acid; Caffeicacid; KOP; AC1NO658; CCRIS 847; Caffeic acid dehydrogenation homopolymer; SPECTRUM1503987; Spectrum4_001694; SCHEMBL3682144; NCGC00017364-01; NCGC00022654-08; 4-(2-Carboxyethenyl)-1,2-dihydroxybenzene; 78734C5A-1281-44D4-B8A0-A3188AD437E3; cis-Caffeic acid; 3-(3,4-dihydroxyphenyl)acrylic acid; Cinnamic acid, 3,4-dihydroxy-; KBioGR_001988; 3,4-Dihydroxybenzeneacrylic acid; 3,4-dihydroxycinnamic acid; trans-caffeic acid; AIDS-026339; NCGC00015206-01; HSDB 7088; ZINC4482687; (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; 3-(3,4-dihydroxyphenyl)prop-2-enoate; Isocaffeic acid; SBB006475; InChI=1/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2; NCGC00017364-02; EU-0100208; C01197; MolPort-001-759-162; KBioSS_002166; Caffeic acid pure; caffeic acid ; trans-Caffeate; (2E)-3-(3,4-dihydroxyphenyl)acrylic acid; NSC 57197; (2E)-3-(3,4-Dihydroxyphenyl)-2-propenoic acid; Spectrum_001686; 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, (E)-; KBio2_002166; Caffeic acid, cis-; 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-; 3,4-Dihydroxybenzeneacrylate; 3-(3,4-Dihydroxy phenyl)-2-propenoic acid; 4361-87-9; 3,4-Dihydroxy-trans-cinnamate; caffeicacid; AR-360/40806927; EINECS 206-361-2; 60018_FLUKA; Caffeic acid polymer; (E)-3-(3,4-dihydroxyphenyl)acrylic acid; NCGC00022654-04; ZX-AL002121; C0625_SIGMA; SDCCGMLS-0002982.P003; 3-(3,4-Dihydroxyphenyl)-2-propenoic acid, homopolymer; SPBio_001643; 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)- (9CI); NCGC00017364-03; 3-(3,4-dihydroxyphenyl)prop-2-enoic acid; AC1LU7RL; SPBio_002943; CHEBI:16433; AIDS026339; 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, homopolymer; CHEBI:17395; TNP00311; SpecPlus_000528; Prestwick0_000902; MLS000069738; 3,4-dihydroxy-cinnamic acid; 3-(3,4-Dihydroxyphenyl)propenoic acid; NCI60_004400; NSC57197; Caffeic; Lopac-C-0625; NCGC00015206-01; Caffeic acid; cis-Caffeic acid; NCGC00017364-01; (Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; C01481; 331-39-5; NCGC00015206-02; CAS-3331-39-5; 3,4-Dihydroxycinnamic acid; CHEBI:17395; (2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; TNP00311; (Z)-3-(3,4-dihydroxyphenyl)acrylic acid; Caffeate; 1- coffee acid C9H8O4 180.16 g/mol C1=CC(=C(C=C1C=CC(=O)O)O)O
TCMBANKIN058124 protocatechualdehyde UNII-4PVP2HCH4T; CP0106; RP20407; AIDS108195; ACMC-1BU4F; AB1003652; 4-Formyl-1,2-dihydroxybenzene; PS-5533; 39D855; KSC174Q9D; AKOS000119507; F2190-0614; KB-28320; 3,4-Dihydroxybenzaldehyde, homopolymer; MCULE-8201140117; D0566; ACMC-20mvlo; 3,4-Dihydroxybenzaldehyde, 97%; 3,4 dihydroxybenzaldehyde; I01-0489; AZ0001-0159; MFCD00003370; MolPort-000-672-422; 37520_FLUKA; AC1Q78G5; MLS001148401; 2-HYDROXY-4-(HYDROXYMETHYLIDENE)CYCLOHEXA-2,5-DIEN-1-ONE; AC1Q6Q41; TR-032901; AJ-08356; ST5202222; 1,2-Dihydroxy-4-formylbenzene; 3,4-dihydroxybenzaldehyde; LS-125886; BB_NC-2317; 3, 4-Dihydroxybenzaldehyde; Opera_ID_356; 3,4-dihydroxy benzaldehyde; 4-Formylcatechol; CTK0B9895; Protocatechuic aldehyde; ANW-20526; 4-Formylbenzene-1,2-diol; 3,4-Dihydroxybenzaldehyde, Vetec(TM) reagent grade, 97%; M-6274; CJ-00132; ACon1_001620; 3,4-Dihydroxybenzyl aldehyde; ST50202222; STL146017; D108405_ALDRICH; Benzaldehyde, 3,4-dihydroxy-; A15221; 419370_ALDRICH; catechaldehyde; AC1L1RNP; Benzaldehyde, 3,4-dihydroxy- (9CI); NCGC00180319-01; AB0008392; protocatechuic aldehyde; ST2417247; MEGxm0_000158; BP-11465; PROTOCATECHUIC ALDEHYDE; BR-39223; AIDS-108195; Protocatechualdehyde; 4PVP2HCH4T; 4CN-0731; AR-360/40191185; EINECS 205-377-7; AIDS-022744; Rancinamycin IV; 3,4-DHBAOP; CHEMBL222021; 3,4-Dihydroxybenzaldehyde, purum, >=97.0% (HPLC); ZINC13245; protocatec-hualdehyde; ACN-S002767; SMR000059038; SC-01003; Nc 033; 4,5-Dihydroxybenzaldehyde; ZINC00013245; BBL010377; IBGBGRVKPALMCQ-UHFFFAOYSA-N; PubChem8231; NSC22961; SCHEMBL36350; 3,4-Dihydroxybenzaldehyde, analytical standard; SBB040269; AIDS022744; DB11268; FT-0614322; 139-85-5; N2276; InChI=1/C7H6O3/c8-4-5-1-2-6(9)7(10)3-5/h1-4,9-10; HMS2236H03; LS10200; 134998-43-9; 3,4-dihydroxy-benzaldehyde; D-3480; KS-000002OG; 2,5-Cyclohexadien-1-one, 2-hydroxy-4-(hydroxymethylene)-; CM13991; 4-Formyl-1,2-benzenediol; 3,4-Dihydroxybenzaldehyde; AN-43839; 3,4-Dihydroxybenzenecarbonal; BG01497764; EBD970769; TRA0091487; RTR-032901; 4-(Hydroxymethylene)-2-hydroxy-2,5-cyclohexadien-1-one; NSC-22961; DTXSID4074512; CHEBI:50205; AC-10830; MLS000069606; AM20020464; CS-W009195; CTK0H4891; AK-39223; NSC 22961; HMS3370F03; ZB000709 C7H6O3 138.12 C1=CC(=C(C=C1C=O)O)O
TCMBANKIN058145 cinaroside Luteoloside; Glucoluteolin; Flavopurposide; ST2407074; HY-N0540; 4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-7-(b-D-glucopyranosyloxy)-5-hydroxy-; MFCD06799436; Luteolin-7-O-glucoside; Galuteolin; Luteolin monoglucoside; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-(.beta.-D-glucopyranosyloxy)-5-hydroxy-; AX8061581; 4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-7-(; Luteolin 7-glucoside, analytical standard; MCULE-8191036162; TR-019005; AC1NQXCE; SCHEMBL149118; luteolin glucoside; Luteolin 7-monoglucoside; SMR000232358; 5373/11/5; AC-6054; HMS2224O21; N1724; AK-25217; C03951; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-; Luteolin 7-.beta.-D-glucoside; Luteolin 7-glucoside, primary pharmaceutical reference standard; Luteolin 7-O-D-glucoside; 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one; SC-46564; ZX-AFC003073; Luteolin 7-O-glucoside; BG01739210; REGID_for_CID_5280637; SR-01000867987-2; CC-30093; MLS002473222; Luteolin 7-O-Glucoside, United States Pharmacopeia (USP) Reference Standard; 98J6XDS46I; Luteolin 7-glucoside; A-D-glucoside; Daphneflavonoloside; CHEMBL233929; N2724; 2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside; 7-(beta-D-glucopyranosyloxy)-5-hydroxy-2-(3,4-dihydroxyphenyl)-4H-chromen-4-one; V1543; Bio-0221; API0003232; 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one; PEFNSGRTCBGNAN-QNDFHXLGSA-N; AKOS015903261; 7-Glucosylluteolin; Flavone, 3',4',5,7-tetrahydroxy-, mono-beta-D-glucopyranoside; LS-39606; AJ-47986; I14-19110; Luteolin 7-O-beta-D-glucoside, >=98.0% (HPLC); Luteolin 7-O-glucopyranoside; 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one; Cinaroside; 7-Glucoluteolin; lCynaroside; EINECS 226-365-8; MolPort-001-740-780; BDBM50241242; 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-, mono-beta-D-glucopyranoside; Flavon, 3',4',5,7-tetrahydroxy-, glucoside; Luteolin-7-D-glucopyranoside; KB-290714; Luteolin, glucoside; SR-01000867987; UNII-98J6XDS46I; Luteolin-7-O-D-glucopyranoside; A-D-glucopyranosyloxy)-5-hydroxy-; REGID_for_CID_657946; 2-(3,4-Dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl hexopyranoside #; Luteolin-7-glucoside; Luteolin 7-b-glucoside; ZINC4096258; Luteolin 7-.beta.-D-glucopyranoside; Luteolin 7-O-; SR-01000867987-3; KS-00001FIQ; CS-5712; luteolin-7-O-beta-glucoside; NCGC00163589-01; 2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one; 26811-41-6; 7-O-beta-D-Glucosyl-5,7,3',4'-tetrahydroxyflavone; BIDF1013; Luteolin 7-O-beta-D-glucoside; cid_5280637; C-22456; Cynaroside; MEGxp0_000619; CHEBI:27994; 373L115;Luteollin 5-glucoside; Luteolin-5-O-b-D-glucopyranoside; MolPort-020-005-904; BG01739205; 2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one; FT-0697969; 2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone; Galuteolin; 2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-chromenone; ST24047512; AIDS-219925; AX8245774; Luteolin 5-glucoside; 2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one; 20344-46-1; 0422AB; 2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one; AK120358; ZINC33831307; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5-(beta-D-glucopyranosyloxy)-7-hydroxy-; BG01154730; Luteolin-5-O-glucopyranoside; AC1NSVN1; Q-100249; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5-(.beta.-D-glucopyranosyloxy)-7-hydroxy-; AKOS016010674; Luteolin-5-O-beta-D-glucoside; luteolin-5-o-beta-d-glucopyranoside; 2-(3,4-DIHYDROXYPHENYL)-7-HYDROXY-5-{[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}CHROMEN-4-ONE; 569-89-1; AIDS219925; AJ-86337; SCHEMBL242602;luteolin-7-O-β-D-glucoside; luteolin-7-O-β-D-Glucoside; Luteolin-7-O-β-D-glucoside;luteolin-7-O-glucoside; Luteolin-7-glucosid; 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-; AKOS001483348; AKOS021983229; 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone; 2-(3,4-DIHYDROXYPHENYL)-5-HYDROXY-7-{[3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}CHROMEN-4-ONE; Glucoluteolin; NCI60_035927; Luteolin-7-glucoside; Luteoloside; Luteolin 7-O-D-glucoside; 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-chromenone; Luteolin-7-O-glucoside; 7-Glucosylluteolin; NCGC00017208-02; AC1NRHCY; 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one; 68321-11-9; NSC700145; Luteolin monoglucoside; Flavone, 3',4',5,7-tetrahydroxy-, mono-beta-D-glucopyranoside; 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)(2H-3,4 ,5,6-tetrahydropyran-2-yloxy)]chromen-4-one; NSC-724451; STOCK1N-08497; Luteolin-7-o- glucoside; Luteolin 7-O-glucoside; 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one; SCHEMBL19523005; A2306/0097227; NCGC00163589-01; Luteolin-7-O-.beta.-D-glucopyranoside; 2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one; NSC-700145; MolPort-002-708-422; 26811-41-6; 7-O-beta-D-Glucosyl-5,7,3',4'-tetrahydroxyflavone; Luteolin 7-O-glucopyranoside; Cinaroside; SCHEMBL149119; ST024704; 2-(3,4-Dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl hexopyranoside; NSC724451; 2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-(4,5,6-trihydroxy-3-(hydroxymethyl)(2-oxanyloxy))-4H-chromen-4-one; Luteolin 7-O-beta-D-glucoside; AIDS070478; 7-Glucoluteolin; EINECS 226-365-8; 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one; Luteolin 7-monoglucoside; luteolin-7-o-glucoside ; Luteolin 7-glucoside; Luteolin 7-galactoside; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-, mono-beta-D-glucopyranoside; AIDS-070478; MEGxp0_000562; NCGC00142376-01; 2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside; 7-(beta-D-glucopyranosyloxy)-5-hydroxy-2-(3,4-dihydroxyphenyl)-4H-chromen-4-one; MEGxp0_000619; Flavon, 3',4',5,7-tetrahydroxy-, glucoside; Cynaroside; CHEBI:27994; MCULE-8064140924; Luteolin, glucoside; C03951; STK763169; 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one;Luteolin-7-Glucoside; luteolin-7-glucoside ; luteolin-7-glucoside;luteoloside;galuteolin;cynaroside C21H20O11 448.4 g/mol C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O
TCMBANKIN058165 3,4-Dihydroxyphenylethyl alcohol glucoside 2-(3,4-dihydroxyphenyl)-ethyl-O-β-D-glucopyranoside; 2-(3, 4-dihydroxyphenyl)-ethyl-O-β-D-glucopyranoside; (2R,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)ethoxy]-6-methylol-tetrahydropyran-3,4,5-triol; SCHEMBL3294556; 3,4-Dihydroxyphenethyl beta-D-allopyranoside; (2R,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)ethoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol; AC1OCD0S; 3,4-dihydroxyphenylethyl alcohol glucoside; (2R,3R,4R,5S,6R)-2-[2-(3,4-dihydroxyphenyl)ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol; (2R,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol C14H20O8 316.3 C1=CC(=C(C=C1CCOC2C(C(C(C(O2)CO)O)O)O)O)O
TCMBANKIN058213 kaemferol;kampferol;kaempferol;campherol TNP00039; nchembio.2007.28-comp30; Kaempherol; 5-18-05-00251 (Beilstein Handbook Reference); Prestwick2_001098; CHEBI:28499; Prestwick1_001098; CAS-520-18-3; BRN 0304401; Flavone, 3,4',5,7-tetrahydroxy-; ST030560; MEGxp0_001283; 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-5,7,4'-Trihydroxyflavonol; C.I. 75640; Swartziol; K0133_SIGMA; kaempferol oxoanion; NCGC00016480-01; 60010_FLUKA; EINECS 208-287-6; Pelargidenon; Nimbecetin; 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4-chromenone; NSC 407289; 3,4',5,7-Tetrahydroxyflavone; HSCI1_000027; Pelargidenolon 1497; NSC407289; Robigenin; C05903; CPD1F-90; Kampferol; NSC 656277; Prestwick0_001098; 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one; Populnetin; Kampcetin; Prestwick3_001098; AIDS-001404; ZINC00137345; kaempferol ; 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-olate; 3,4′,5,7-Tetrahydroxyflavone; Rhamnolutein; NCGC00016480-02; ACon1_001867; NSC656277; 3,4′,5,7-Tetrahydroxyflavone; BSPBio_001176; SPBio_003058; Oprea1_650954; 5,7,4'-Trihydroxyflavonol; 4H-1-Benzopyran-4-one,3,5,7-trihydroxy-2-(4-hydroxyphenyl)-5,7,4'-Trihydroxyflavonol; 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)- (9CI); Campherol; 520-18-3; 3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-4H-CHROMEN-4-ONE; S00111; Trifolitin; Kampherol; AI3-36096; 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromone; Indigo yellow; Pelargidenolon; AIDS001404; nchembio718-comp14; NCGC00091036-01; Flavone, 3,4',5,7-tetrahydroxy- (7CI,8CI); CHEBI:58573; Kaemferol; Kempferol; BPBio1_001294; 3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; Rhamnolutin; 3,5,7-triOH-Flavone; KMP; CCRIS 41; 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)- C15H10O6 286.24 g/mol C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O
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
TCMBANKIN058290 hydroxyacetophenone AC1Q5EBI; bmse000670; Methanol, benzoyl-; 582-24-1; NSC 171232; CTK1G9688; Phenacyl alcohol; Acetophenone, 4'-hydroxy-; (4-Hydroxyphenyl)ethan-1-one; C10700; RT-004153; KS-000001GC; EC 202-802-8; KSC486M3B; AURORA 16683; ACT01160; ST51038371; Acetophenone, 2-hydroxy- (8CI); W-100007; KB-173018; Y6738; TXFPEBPIARQUIG-UHFFFAOYSA-N; DSSTox_RID_78678; 1-(4-Hydroxyphenyl)Ethan-1-One; 2-hydroxy-acetophenone; MolPort-000-871-223; WLN: QR DV1; AM804082; KB-88470; .alpha.-Hydroxyacetophenone; DTXSID0029133; 1-(4-Hydroxyphenyl)ethanone (4-Hydroxyacetophenone); 2-hydroxyaceto-phenone; (4-Hydroxyphenyl)-1-propanone; ST2403210; 261172-42-3; CS-D1120; Hydroxymethyl phenyl ketone; KSC269M8R; MFCD00002359; 4CN-1638; HXT; SC-07567; 70H702; Glycolophenone; AJ-19290; SC-75012; PubChem3311; NE10181; 4-Acetylphenol; rho-hydroxyacetophenone; AN-10345; p-Hydroxacetophenone; CHEMBL201083; TIMTEC-BB SBB040251; MolPort-001-792-352; 1-Phenyl-2-hydroxyethanone; H6236; HYDROXYACETOPHENONE, P-; ANW-32895; NCGC00257782-01; 4-Hydroksyacetofenol; p-Acetylphenol; EN300-62495; 4-Hydroxyacetophenone; SBB040251; ASISCHEM D38759; LS-13551; CJ-12925; p-hydroxy acetophenone; Ethanone, 1-(4-hydroxyphenyl)-; TRA0095357; AC1L29UA; bmse000593; 21445-EP2281817A1; 1-(4-hydroxyphenyl)-1-ethanone; FT-0618684; AB-131/40179700; AJ-55832; USAF KF-15; 4''-hydroxyacetophenone; (4-hydroxyphenyl)ethanone; NCGC00248570-01; 4-Hydroksyacetofenol [Polish]; MCULE-6065587915; a-hydroxyacetophenone; Tox21_200228; alpha-Hydroxyacetophenone; 1-(2-HYDROXY-5-METHYLPHENYL)-1-ETHANONE; STK397448; AI3-15121; CHEBI:28341; Z57040434; EINECS 202-802-8; NE10975; AK-86441; NSC-3698; Acetophenone, 2-hydroxy-; BC675526; Z1272730906; DSSTox_GSID_29133; CHEBI:28032; BIDD:ER0242; Tox21_303602; NCGC00257375-01; PARAGOS 440062; AS01158; (Hydroxyacetyl)benzene; UNII-DQ1N9R01IA; AB0007869; ST50213412; HYDROXYACETOPHENONE, PARA; 4'-hyroxyacetophenone; FT-0612517; NSC-171232; AK-94786; PubChem13990; AC6; 2,5-Cyclohexadien-1-one, 4-(1-hydroxyethylidene)- (9CI); 278564_ALDRICH; Acetophenone, .alpha.-hydroxy-; ZINC00330136; ZINC6116374; c0694; p-hydroxy-acetophenone; 2-Hydroxy-1-phenylethanone #; EINECS 209-480-8; ZB010486; BDBM50177409; ACMC-209m35; InChI=1/C8H8O2/c1-6(9)7-2-4-8(10)5-3-7/h2-5,10H,1H; 99-93-4; LABOTEST-BB LT03331896; 1-acetyl-4-hydroxybenzene; omega-Hydroxyacetophenone; AB1003110; RTR-030502; ZINC330136; NSC 3698; 2-Hydroxyacetophenone; 21445-EP2314295A1; NSC171232; para-Hydroxyacetophenone; 4-(1-Hydroxyethylidene)-2,5-cyclohexadiene-1-one; benzoylmethanol; 1-(4-hydroxyphenyl)-ethanone; 4-Hydroxyphenyl Methyl Ketone; 2-Hydroxyacetophenone, 98%; SCHEMBL40866; DQ1N9R01IA; BG00600259; DTXSID7060388; C07189; P-ACETOPHENOL; 2-Phenyl-2-oxoethanol; LS10613; AC1L1OTY; alpha-hydroxy acetophenone; bmse010030; LABOTEST-BB LTBB002651; TIMTEC-BB SBB005399; 2-Hydroxy-1-phenylethanone; 4'-Hydroxyacetophenone, analytical standard; 2-Hydroxy-1-phenylethan-1-one; AKOS009157007; 4'-Hydroxyacetophenone, 99%; AN-46075; 4-Acetophenol; I14-48967; MCULE-8152973932; 4-hydroxy acetophenone; AKOS BBS-00003226; 4-(1-HYDROXYETHYLIDENE)CYCLOHEXA-2,5-DIEN-1-ONE; ZWVHTXAYIKBMEE-UHFFFAOYSA-N; CTK3I6630; RP20254; PubChem23011; Benzoylcarbinol; G1L3HT4CMH; CAS-99-93-4; 4'-Hydroxyacetophenone (Acetaminophen Impurity E), Pharmaceutical Secondary Standards; Certified Reference Material; Methyl p-hydroxyphenyl ketone; Phenol, p-acetyl-; SCHEMBL44898; p-Hydroxyphenyl methyl ketone; AB00443569-03; Acetophenone, p-hydroxy-; P-HYDROXYACETOPHENONE; CTK8H8820; AC1Q1JTE; parahydroxyacetophenone; ST2416948; 1-(4-hydroxyphenyl) ethanone; 2-hydroxyacetophenon; 21445-EP2311806A2; AKOS BBS-00009026; 1-(4-Hydroxyphenyl)ethanone; OTAVA-BB 1778865; 2-hydroxy acetophenone; 2o48; AKOS000118915; AI3-12133; STR01114; AC1Q5F6S; NSC3698; p-Oxyacetophenone; CS-W002198; MFCD00041829; DB-021198; Ethanone, 2-hydroxy-1-phenyl-; ACMC-209sej; DSSTox_CID_9133; 4-HAP; BBL011610; OTAVA-BB 7013941401; 4'-Hydroxyacetophenone; InChI=1/C8H8O2/c9-6-8(10)7-4-2-1-3-5-7/h1-5,9H,6H; Piceol; Acetophenone, 4'-hydroxy- (6CI,8CI);; 2-hydroxy-1-phenyl-ethanone; LS10359; TL8006112; 1-(4-Hydroxy-phenyl)-ethanone; 4-HYDROXYLACETOPHENONE; BB_SC-6720; UNII-G1L3HT4CMH; AC1Q7BHE; AC-6123; I01-0447; F0001-2341; hydroxy-acetophenone; Acetophenone, 4'-hydroxy- (8CI); 4'-hydroxy acetophenone; HYDROXYACETOPHENONE-4; AC-13228; Methyl-p-hydroxyphenyl ketone; .omega.-Hydroxyacetophenone; ANW-41081; SBB085926; 2-hydroxy-1-phenylethanone C8H8O2 136.15 g/mol C1=CC=C(C=C1)C(=O)CO
TCMBANKIN058332 aurantiamide;N-[(1S)-1-(benzyl)-2-[[(1S)-1-(benzyl)-2-hydroxy-ethyl]amino]-2-keto-ethyl]benzamide 58115-31-4; N-[(2S)-1-[[(2S)-1-hydroxy-3-phenyl-propan-2-yl]amino]-1-oxo-3-phenyl-propan-2-yl]benzamide; N-[(2S)-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide; N-[(1S)-2-[[(1S)-1-(hydroxymethyl)-2-phenylethyl]amino]-2-oxo-1-(phenylmethyl)ethyl]benzamide; N-[(1S)-2-[[(1S)-1-(hydroxymethyl)-2-phenyl-ethyl]amino]-2-oxo-1-(phenylmethyl)ethyl]benzamide C25H26N2O3 402.5 g/mol C1=CC=C(C=C1)CC(CO)NC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3
TCMBANKIN058683 2-[(1R,3S,4S)-3-isopropenyl-4-methyl-4-vinylcyclohexyl]propan-2-ol EINECS 211-360-5; 2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]propan-2-ol; 8024-27-9; AI3-00210; Cyclohexanemethanol, 4-ethenyl-alpha,alpha,4-trimethyl-3-(1-methylethenyl)-, (1R,3S,4S)-; Cyclohexanemethanol, 4-ethenyl-alpha,alpha,4-trimethyl-3-(1-methylethenyl)-, (1R-(1alpha,3alpha,4beta))-; 2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-yl-cyclohexyl]propan-2-ol; 639-99-6; Cyclohexanemethanol, 4-ethenyl-alpha,alpha,4-trimethyl-3-(1-methylethenyl)-, (1theta-(1alpha,3alpha,4beta))-; 2-[(1R,3S,4S)-3-isopropenyl-4-methyl-4-vinyl-cyclohexyl]propan-2-ol; (1S,2S,4R)-(-)-alpha,alpha-Dimethyl-1-vinyl-o-menth-8-ene-4-methanol;Elemol;elemol; GFJIQNADMLPFOW-GUTXKFCHSA-N; [1R-[1.alpha.,3.alpha.,4.beta.]]-4-Ethenyl-.alpha.,.alpha.,4-trimethyl-3-[1-methylethenyl]cyclohexanemethanol C15H26O 222.37 CC(=C)C1CC(CCC1(C)C=C)C(C)(C)O
TCMBANKIN058706 betulin AKOS025402304; Ambotz473-98-3; betulin ; AC-7983; SCHEMBL9888462; (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13bR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-1H-cyclopenta[a]chrysen-9-ol; FVWJYYTZTCVBKE-MAIYTPNSSA-N; ; Trochol; 18211-63-7; C08618; Messagenin; 473-98-3; AIDS002710; B9757_SIGMA; ZINC03978650; Prestwick3_000990; Betulin; MEGxp0_001726; AI3-62999; BSPBio_001059; Lup-20(30)-ene-3beta,28-diol; C08631; Betulinol; ACon1_000091; AIDS-002710; Lup-20(29)-ene-3beta,28-diol; BPBio1_001165; Betuline; Lup-20(29)-ene-3,28-diol, (3beta)-; NSC 4644; (3.beta.)-Lup-20(29)-ene-3,28-diol; NSC692218; EINECS 207-475-5; Betulinic alcohol; ST5411404; Trochol C30H50O2 442.7g/mol CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)CO
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
TCMBANKIN058726 selina-4(15),7(11)-diene eudesma-4-(14), 7(11)diene; Gamma-Selinene; eudesma-4(14),7(11)-diene; (4aR-trans)-Decahydro-4a-methyl-1-methylene-7-(1-methylethylidene)naphthalene; CHEBI:138051; gamma-selinene; Selina-4(15),7(11)-diene; 515-17-3; C21707; Selina-4(14),7(11)-diene; (4aR,8aS)-4a-methyl-1-methylidene-7-(propan-2-ylidene)decahydronaphthalene; RMZHSBMIZBMVMN-LSDHHAIUSA-N; Eudesma-4(14),7(11)-diene C15H24 204.35 g/mol CC(=C1CCC2(CCCC(=C)C2C1)C)C
TCMBANKIN058728 Artemisia ketone 3,3,6-Trimethyl-1,5-heptadien-4-one #; UNII-0JA03K53PD; Isoartemisia ketone; OTYVBQZXUNBRTK-UHFFFAOYSA-N; 1,5-Heptadien-4-one,3,3,6-trimethyl-; artemisia ketone ; ZINC1846548; 546-49-6; 1,5-Heptadien-4-one, 3,3,6-trimethyl-; Isoartemisiaketon; 11105_FLUKA; AC1Q5BHU; EINECS 208-903-3; SCHEMBL3159032; 3,3,6-Trimethyl-1,5-heptadien-4-one; CTK5A2078; 0JA03K53PD; artemisia ketone; Hepta-1,5-dien-4-one, 3,3,6-trimethyl; Artemesia ketone; 2,5,5-Trimethyl-2,6-heptadien-4-one; 3,3,6-Trimethylhepta-1,5-dien-4-one; Artemesia; DTXSID60203030; FT-0691953; CJ-30255; AC1L29KD; 3,3,6-trimethyl-hepta-1,5-dien-4-one; KB-47443 C10H16O 152.23 CC(=CC(=O)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
TCMBANKIN059443 isoallylbenzene C9H10 118.18 g/mol CC=CC1=CC=CC=C1
TCMBANKIN059521 B- pinene;pinene;T-pinene;(-)-nopinene;beta-pinene;bicyclo[3.1.1]heptane,6,6-dimethyl-2-methylene-,(1s);1-β-pinene;()-beta-Pinene;(-)- β- pinene;laevo- β- Pinene C10H16 136.23 g/mol CC1(C2CCC(=C)C1C2)C
TCMBANKIN059527 (+)-Camphene C10H16 136.23 g/mol CC1(C2CCC(C2)C1=C)C
TCMBANKIN059531 eucalyptol C10H18O 154.25 g/mol CC1(C2CCC(O1)(CC2)C)C
TCMBANKIN059884 blumenol a C13H20O3 224.3 g/mol CC1=CC(=O)CC(C1(C=CC(C)O)O)(C)C
TCMBANKIN059905 p-isopropyltoluene;4-Isopropyltoluene;cymene;1-methyl-4-(1-methylethyl)benzene;Cymol;Para cymene;4-Cymol;p-cymene;Dolcymene C10H14 134.22 g/mol CC1=CC=C(C=C1)C(C)C
TCMBANKIN059929 physcion C16H12O5 284.26 g/mol CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)OC
TCMBANKIN059932 chrysophanol C15H10O4 254.24 CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC=C3O
TCMBANKIN059960 (-)-g-cadinene C15H24 204.35 g/mol CC1=CC2C(CC1)C(=C)CCC2C(C)C
TCMBANKIN059974 alpha-phellandrene C10H16 136.23 CC1=CCC(C=C1)C(C)C
TCMBANKIN059975 β-humulene C15H24 204.35 CC1=CCC(C=CCC(=C)CCC1)(C)C
TCMBANKIN059978 santamarine C15H20O3 248.32 CC1=CCC(C2(C1C3C(CC2)C(=C)C(=O)O3)C)O
TCMBANKIN060018 Costunolide C15H20O2 232.32 g/mol CC1=CCCC(=CC2C(CC1)C(=C)C(=O)O2)C
TCMBANKIN060028 α-ionone C13H20O 192.3 g/mol CC1=CCCC(C1C=CC(=O)C)(C)C
TCMBANKIN060108 Naphthol[1,2-b]furan-2(3H)-one,decahydro-6-hydroxy-5a-methyl-3,9-bis(methylene)-,[3as-(3aalpha,5abeta,6beta,9aalpha,9bbeta)] C15H20O3 248.32 g/mol CC12CCC3C(C1C(=C)CCC2O)OC(=O)C3=C
TCMBANKIN060117 iso-alantolactone C15H20O2 232.32 CC12CCCC(=C)C1CC3C(C2)OC(=O)C3=C
TCMBANKIN060118 4α-hydroxy-4β-methyldihydrocostol C15H26O2 CC12CCCC(C1CC(CC2)C(=C)CO)(C)O
TCMBANKIN060140 friedelan-3-one C30H50O 426.7 g/mol CC1C(=O)CCC2C1(CCC3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C)C)C)C)C)C
TCMBANKIN060264 rutin C27H30O16 610.5 g/mol CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O
TCMBANKIN060271 acacetin-7-O-rutinoside C28H32O14 592.5 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
TCMBANKIN060379 disesquiterpenoid B C15H22O3 CC1C2CCC3(C(CCC(=C)C3C2OC1=O)O)C
TCMBANKIN060548 NSC 159627 C30H50O2 442.72 CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)CO
TCMBANKIN060601 alantolactone C15H20O2 232.32 g/mol CC1CCCC2(C1=CC3C(C2)OC(=O)C3=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
TCMBANKIN060703 aplotaxene C17H28 232.4 g/mol CCC=CCC=CCC=CCCCCCC=C
TCMBANKIN060905 Ricineic acid C18H32O2 280.45 CCCCCCC=CC=CCCCCCCCC(=O)O
TCMBANKIN060937 linderic acid C12H22O2 198.3 g/mol CCCCCCCC=CCCC(=O)O
TCMBANKIN061006 lauric acid C12H24O2 200.32 CCCCCCCCCCCC(=O)O
TCMBANKIN061128 n-tetracosanoic acid C24H48O2 368.64 g/mol CCCCCCCCCCCCCCCCCCCCCCCC(=O)O
TCMBANKIN061140 Melissic acid C30H60O2 452.8 g/mol CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
TCMBANKIN061401 Methylgallate BRN 2113180; methyl gallate ; Gallic acid methyl ester; Benzoic acid, 3,4,5-trihydroxy-, methyl ester; ZINC00021789; InChI=1/C8H8O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3,9-11H,1H; 3,4,5-trihydroxybenzoic acid methyl ester; NSC363001; NSC 363001; methyl gallate; CCRIS 5567; EINECS 202-741-7; AIDS-026332; METHYL GALLATE; 99-24-1; meGAL; MLS000574912; AI3-00861; 4-10-00-01998 (Beilstein Handbook Reference); 274194_ALDRICH; AIDS026332; SMR000156263; Gallic acid, methyl ester; 48690_FLUKA; Methyl 3,4,5-trihydroxybenzoate; gallincin C8H8O5 184.15 COC(=O)C1=CC(=C(C(=C1)O)O)O
TCMBANKIN061544 cuscutin bergenin;3,4,4a,10b-Tetrahydro-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxypyrano(3,2-c)(2)benzopyran-6(H)-one; D01040; Bergenin [JAN]; 477-90-7 (ANYDROUS); Bergenin; Bergenin (JAN); Pyrano[3,2-c][2]benzopyran-6(2H)-one, 3,4,4a,10b-tetrahydro-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-, (2R,3S,4S,4aR,10bS)-; CHEMBL1512567; AIDS-031337; HMS2268E16; 3,4,8,10-Tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydropyrano[3,2-c]isochromen-6(2H)-one; (2R,3S,4S,4aR,10bS)-3,4,8,10-tetrahydroxy-9-methoxy-2-methylol-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-6-one; MLS000563027; 4-Methoxy-2-(tetrahydro-3,4,5-trihydroxy-6-(hydroxymethyl)pyran-2-yl)alpha-resorcylic acid gamma lactone; bergenin ; BB_NC-1749; ZINC04046820; SMR001215803; C09919; 477-90-7; (2R,3S,4S,4aR,10bS)-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-6-one; AIDS031337 C14H16O9 328.27 g/mol COC1=C(C=C2C(=C1O)C3C(C(C(C(O3)CO)O)O)OC2=O)O
TCMBANKIN061577 FER Ferulate; Coniferic acid; Cinnamic acid, 4-hydroxy-3-methoxy- (8CI); KBio1_001587; Spectrum5_000554; SDCCGMLS-0066667.P001; NCGC00094889-02; AIDS017864; 3-methoxy-4-hydroxy-trans-cinnamic acid; CCRIS 3256; trans-4-Hydroxy-3-methoxycinnamic acid; 97274-61-8; (E)-4'-Hydroxy-3'-methoxycinnamic acid; Cinnamic acid, 4-hydroxy-3-methoxy-, (E)-; SBB000326; Cinnamic acid, 4-hydroxy-3-methoxy-; NCGC00094889-03; InChI=1/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13; 3-(4-Hydroxy-3-methoxyphenyl)acrylic acid; SMR000112202; 4-Hydroxy-3-methoxycinnamic acid; 3-Methoxy-4-hydroxy-trans-cinnamate; Ferulic acid, trans-; 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid; Spectrum2_001394; KBio3_002388; 4-Hydroxy-3-methoxy cinnammic acid; 1135-24-6; CHEBI:17620; transferulic acid NCGC00094889-01; EINECS 208-679-7; Spectrum3_001434; NCI60_002312; NSC51986; Ferulic acid dehydrogenation homopolymer; EINECS 214-490-0; CCRIS 7575; KBio2_006872; KBio2_004304; FERULOATE; 537-98-4; Spectrum_001256; caffeic acid 3-methyl ether; 128708_ALDRICH; Cinnamic acid, 4-hydroxy-3-methoxy-, trans-; NSC 674320; 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, (E)- (9CI); MLS001066385; 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-; BSPBio_003168; NSC2821; SPBio_001408; 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, (E)-; 46278_FLUKA; (E)-Ferulic acid; (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoic acid; 3-methoxy-4-hydroxycinnamic acid; FERULIC-ACID; SpecPlus_000547; KBioSS_001736; AIDS-017864; Spectrum4_001897; (E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid; 3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid homopolymer; SPECTRUM1501017; FERULIC ACID (TRANS); 3-(4-hydroxy-3-methoxy-phenyl)acrylic acid; (E)-3-(4-hydroxy-3-methoxy-phenyl)acrylic acid; (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid; DivK1c_006643; C01494; KBioGR_002459; 3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid; NSC 51986; 3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoic acid; ferulic acid; KBio2_001736; CINNAMIC ACID,4-HYDROXY,3-METHOXY FERULIC ACID; NSC 2821; W518301_ALDRICH; (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid; Trans-ferulic acid; 3-methoxy-4-hydroxycinnamic acid C10H10O4 194.18 g/mol COC1=C(C=CC(=C1)C=CC(=O)O)O
TCMBANKIN061628 Lariciresinol 27003-73-2; NSC329247; lariciresinol; 4-[(2S,3R,4R)-4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(hydroxymethyl)oxolan-2-yl]-2-methoxyphenol; Lariciresinol, (+)-; 4-[(2S,3R,4R)-4-[(4-hydroxy-3-methoxy-phenyl)methyl]-3-(hydroxymethyl)tetrahydrofuran-2-yl]-2-methoxy-phenol; 4-[(2S,3R,4R)-4-[(4-hydroxy-3-methoxy-phenyl)methyl]-3-(hydroxymethyl)oxolan-2-yl]-2-methoxy-phenol; 4-[(2S,3R,4R)-4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(hydroxymethyl)-2-tetrahydrofuranyl]-2-methoxyphenol; 4-[(2S,3R,4R)-4-(4-hydroxy-3-methoxy-benzyl)-3-methylol-tetrahydrofuran-2-yl]-2-methoxy-phenol; C10646; Arbo 4; (+)-lariciresinol C20H24O6 360.4 g/mol COC1=C(C=CC(=C1)CC2COC(C2CO)C3=CC(=C(C=C3)O)OC)O
TCMBANKIN061786 elemicine el-emicine，Elemicine; elemicin ; Elemicin; Benzene, 5-(2-propenyl)-1,2,3-trimethoxy; AX8052814; CJ-04512; C10451; V6154; KS-00000EX2; TC-307841; 4-allyl-1,2,6-trimethoxybenzene; CHEBI:4771; KB-85683; 5-Allyl-1,2,3-trimethoxybenzene; 1,2,3-Trimethoxy-5-allylbenzene; NSC16704; K-9190; BRN 1912664; TRA0018883; 5-(Prop-2-en-1-yl)-1,2,3-trimethoxybenzene; 1,2,3-Trimethoxy-5-allylbenzene (elemicin); SCHEMBL68542; EINECS 207-649-0; CTK4J0963; 5'-metoxy eugenol; ZB015169; ST24044297; AKOS015896443; CCRIS 6783; Benzene, 1,2,3-trimethoxy-5-(2-propenyl)-; 10005-761a; 1,2,3-Trimethoxy-5-(2-propenyl)-benzene; 1,2,3-trimethoxy-5-(prop-2-en-1-yl)benzene; Benzene,1,2,3-trimethoxy-5-(2-propen-1-yl)-; A827594; 1,2,3-Trimethoxy-5-[2-propenyl]-benzene; I06-1928; 1,2,3-Trimethoxy-5-(2-propenyl)benzene; DTXSID60197586; ZINC899845; 3,4,5-Trimethoxyallylbenzene; MFCD01656688; BPLQKQKXWHCZSS-UHFFFAOYSA-N; AI3-20815; AN-843; CHEMBL458690; 487A116; OR40002; 487-11-6; 5-allyl-1,2,3-trimethoxybenzene; AK116942; ZX-AT003475; Benzene, 1,2,3-trimethoxy-5-(2-propenyl)- (9CI); J-520432; NSC-16704; MolPort-003-824-417; 3,4, 5-Trimethoxyallylbenzene; RP26424; LS-29056; 5-allyl-1,2,3-trimethoxy-benzene; HSZ191AKAN; AC1L1USQ; 4-allyl-1,2,6-trimethoxy benzene; 1,2,3-Trimethoxy-5-(2-propenyl)benzene, 9CI; NSC 16704; AJ-24292; Benzene,2,3-trimethoxy-5-(2-propenyl)-; SY018605; 1,2,3-trimethoxy-5-prop-2-enyl-benzene; 1,2,3-trimethoxy-5-prop-2-enylbenzene; FT-0652063; ST51053296; Benzene, 5-allyl-1,2,3-trimethoxy-; BENZENE, 5-ALLYL-1,2,3-TRIMETHOXY-; DB-081347; 3,5-Trimethoxyallylbenzene; PS-4970; UNII-HSZ191AKAN; 3-(3,4,5-Trimethoxyphenyl)-1-propene; 4-06-00-07478 (Beilstein Handbook Reference) C12H16O3 208.25 g/mol COC1=CC(=CC(=C1OC)OC)CC=C
TCMBANKIN061792 syringin C17H24O9; Glucoside, 4-(3-hydroxypropenyl)-2,6-dimethoxyphenyl, D; beta-D-Glucopyranoside, 4-(3-hydroxy-1-propenyl)-2,6-dimethoxyphenyl; LS-172368; Ligustrin (VAN); NSC 287441;syringenone;Syrigin;cis-syringin;ligustrin C17H24O9 372.4 g/mol COC1=CC(=CC(=C1OC2C(C(C(C(O2)CO)O)O)O)OC)C=CCO
   植物对应的疾病
疾病ID 病名 疾病类型 MeSH 参考文献
   植物对应的靶点
靶点ID 基因名 基因别名 描述 染色体位置 Map_Location 基因类型

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