Plant Summary

  Plant Information

TCMBank_ID:

TCMBANKHE004506

YEM_ID:

YEM-137

ID:

TCMBANKHE004506/YEM-137

植物拉丁名:

Radix Notoginseng|Panax notoginseng (Burk.) F, H. Chen ex C.Chow et al.
显示图片

功能与主治:

To eliminate blood stasis, arrest bleeding, cause subsidence of swelling and alleviate pain./Hemoptysis, blood ejection, spontaneous external bleeding, hematochezia, flooding and spotting, bleeding due to external injury, angina pectoris, stabbing pain in chest and abdomen, painful swelling from knocks and falls.

药用植物名:

三七

药名:

三七

来源:

云南民族药物志：第一卷

药用部位:

root

使用民族:

彝族

药味:

Warm; Pungent; Slightly Bitter

经络:

Stomach; Liver

临床特征:

1. Flavonoid glycoside, one of its components, increases coronary flow, reduces myocardial oxygen consumption and lowers arterial pressure.2.Cardiotonic on frogs' hearts in vitro; low concentration of its extract exerts a vasoconstrictive effect on the ve

治疗类型:

化瘀止血药

TCM_ID_id:

2443

SymMap_id:

346

TCMSP_id:

602

   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
TCMBANKIN000006 evodiamine l-Evodiamine; BDBM50366821; BB_NC-1930; ZINC00898159; Evodiamine, <i>Evodia rutaecarpa; evodiamine ; 518-17-2; CHEMBL486598; Evodiamine; ZINC2031813; C09187 C19H17N3O 303.36 CN1C2C3=C(CCN2C(=O)C4=CC=CC=C41)C5=CC=CC=C5N3
TCMBANKIN000098 linamarin CHEBI:16441; 2-(beta-D-Glucopyranosyloxy)-2-methylpropionitrile; SR-05000002494-1; CTK8G0586; BSPBio_003283; KBioSS_002500; BICL4127; SCHEMBL42021; FT-0608720; KBio2_007628; 1-cyano-1-methylethyl beta-D-glucoside; KBio3_002503; C01594; Spectrum_001946; SpecPlus_000936; Spectrum3_001622; CCG-39428; 2-beta-d-glucopyranosyloxy-2-methylpropanenitrile; CHEMBL3039425; 2-(; LINAMARIN; SPBio_002123; KBio1_001976; W-203090; alpha-Hydroxyisobutyronitrile beta-D-glucopyranoside, >=98.0% (HPLC); Propanenitrile, 2-(beta-D-glucopyranosyloxy)-2-methyl-; NCGC00178164-01; 2-Methyl-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)propanenitrile; 5-17-07-00397 (Beilstein Handbook Reference); AKOS030242445; MFCD00036209; 2-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-propanenitrile; alpha-Hydroxyisobutyronitrile beta-D-glucopyranoside; Linamarin; LS-120874; Spectrum5_000575; DTXSID8052857; Manihotoxin; KBio2_005060; SR-05000002494; 2-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-propionitrile; KBio2_002492; H3V9RP3WLO; UNII-H3V9RP3WLO; BRN 0019237; 2-(beta-D-Glucopyranosyloxy)-2-methyl-Propanenitrile; DivK1c_007032; 2-(beta-D-Glucopyranosyloxy)-2-methylpropanenitrile; HSDB 3507; alpha-Hydroxyisobutyronitrile-beta-D-glucose; 2-(beta-D-Glucopyranosyloxy)isobutyronitrile; A-D-Glucopyranosyloxy)-2-methyl-propanenitrile; Spectrum2_001972; alpha-Hydroxyisobutyronitrile beta-D-glucose; 2-methyl-2-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]propanenitrile; C-51988; 2-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-propanenitrile; MolPort-003-665-717; A-D-Glucopyranosyloxy)-2-methylpropionitrile; ZINC3984017; Phaseolunatin; KBioGR_002195; 2-(b-D-Glucopyranosyloxy)-2-methylpropanenitrile, 9CI; SPECTRUM1504124; SDCCGMLS-0066829.P001; 2-methyl-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propanenitrile; Spectrum4_001668; AC1L1WOH; 554-35-8; AK600739; 2-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropanenitrile C10H17NO6 247.24 g/mol CC(C)(C#N)OC1C(C(C(C(O1)CO)O)O)O
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
TCMBANKIN000145 10Z,13Z-nonadecadienoic acid cis-10, cis-13-nonadecadienoic acid; LMFA01030129; (10Z,13Z)-nonadeca-10,13-dienoic acid C19H34O2 294.5 g/mol CCCCCC=CCC=CCCCCCCCCC(=O)O
TCMBANKIN000984 (9Z,12E)-octadeca-9,12-dienoic acid methyl ester EINECS 243-607-8; 20221-27-6; Methyl (9Z,12E)-octadeca-9,12-dienoate C19H34O2 294.47 CCCCCC=CCC=CCCCCCCCC(=O)OC
TCMBANKIN001709 (1R,2S)-1-ethyl-2-methylcyclopropane (1R,2S)-1-ethyl-2-methyl-cyclopropane 84.18
TCMBANKIN001734 14-methylhexadecanoicacid 14-methyl hexadecanoic acid C17H34O2 270.5 g/mol CCC(C)CCCCCCCCCCCCC(=O)O
TCMBANKIN001911 Encecalin CHEMBL451983; CHEBI:4789; NSC603929; C09005; 1-(7-Methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)ethanone; Ketone, 7-methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl methyl; 20628-09-5; encecalin; 4CN-1599; SCHEMBL4310132; WXVLCNREBFDEKS-UHFFFAOYSA-N; AKOS032948499; NSC-603929; 1-(7-methoxy-2,2-dimethyl-2h-chromen-6-yl)ethanone; ZINC897924; Isolated from Asteraceae plants; Encecaline; NSC 603929; 1-(7-methoxy-2,2-dimethyl-chromen-6-yl)ethanone; ACon1_002222; 1-(7-methoxy-2,2-dimethylchromen-6-yl)ethanone; Encecalin (methyleupatoriochromene); Ethanone,1-(7-methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-; W1949; AC1Q5GA2; 6-acetyl-7-methoxy-2,2-dimethylchromene; 1-(7-methoxy-2,2-dimethyl-6-chromenyl)ethanone; MolPort-001-742-371; AC1L3FTK; CTK8D7503; MEGxp0_001567; NP-009521; MCULE-1012949526 C14H16O3 232.27 CC(=O)C1=C(C=C2C(=C1)C=CC(O2)(C)C)OC
TCMBANKIN001976 ZINC01532096 (1S,5R)-3-(3,5-dichlorophenyl)-1,5-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-quinone; ZINC01532095; (1S,5R)-3-(3,5-dichlorophenyl)-1,5-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione 284.15
TCMBANKIN002350 20(s)-ginsenosiderh2 20(s)-ginsenoside-rh2 C36H62O8 622.9 g/mol CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)O)C)C)O)C)O)C
TCMBANKIN002812 notoginsenosider2 notoginsenoside R2; notoginsenoside r2 C41H70O13 771 g/mol CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CC(C4C3(CCC(C4(C)C)O)C)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(CO6)O)O)O)C)O)C)O)C
TCMBANKIN002919 Butylcyclobutane Cyclobutane, butyl- C8H16 112.21 g/mol CCCCC1CCC1
TCMBANKIN002965 Ethyl-p-digallate ethyl-p-digallate; ethyl 3,5-dihydroxy-4-(3,4,5-trihydroxyphenyl)carbonyloxy-benzoate; AC1NSVBL; 3,5-dihydroxy-4-(3,4,5-trihydroxybenzoyl)oxy-benzoic acid ethyl ester; (4-ethoxycarbonyl-2,6-dihydroxyphenyl) 3,4,5-trihydroxybenzoate; ethyl 3,5-dihydroxy-4-(3,4,5-trihydroxybenzoyl)oxybenzoate; ethyl 3,5-dihydroxy-4-(3,4,5-trihydroxybenzoyl)oxy-benzoate; 3,5-dihydroxy-4-[oxo-(3,4,5-trihydroxyphenyl)methoxy]benzoic acid ethyl ester 350.3 CCOC(=O)C1=CC(=C(C(=C1)O)OC(=O)C2=CC(=C(C(=C2)O)O)O)O
TCMBANKIN003186 (4aS,9aR)-2,9,9-trimethyl-5-methylene-4,4a,6,7,8,9a-hexahydro-3H-benzo[7]annulene (4aS,9aR)-2,9,9-trimethyl-5-methylidene-4,4a,6,7,8,9a-hexahydro-3H-benzo[7]annulene C15H24 204.35
TCMBANKIN003657 WLN: QR DG AI3-19422; NINDS_000310; Spectrum3_000539; 25865_FLUKA; IDI1_000310; KBio2_001419; KBioSS_001419; 35826_RIEDEL; Phenol, 4-chloro-; 106-48-9; 4-Chlorophenol; NSC 2877; NCGC00090814-01; Parachlorophenol (JAN/USP); Spectrum4_000468; DivK1c_000310; KBio3_001657; p-Chlorophenol; 185787_ALDRICH; D00149; KBio1_000310; AIDS017748; c0295; NSC2877; 4-Monochlorophenol; Spectrum_000939; p-Chlorophenol, solid [UN2020] [Keep away from food]; 4-Hydroxychlorobenzene; 4-Chlorophenol solution; C02124; NCGC00090814-02; Parachlorophenol; HSDB 1414; p-Chlorfenol; p-Chlorophenol, liquid [UN2021] [Keep away from food]; AIDS-017748; CHEBI:28078; EINECS 203-402-6; KBioGR_000916; KBio2_003987; p-Chlorophenic acid; 442411_SUPELCO; Applied 3-78; NCGC00090814-03; Spectrum2_000968; 4-Chloro-1-hydroxybenzene; BSPBio_002157; ZINC00001885; Spectrum5_001228; SPECTRUM1500460; SPBio_000975; ST5214454; CCRIS 642; Phenol, p-chloro-; InChI=1/C6H5ClO/c7-5-1-3-6(8)4-2-5/h1-4,8; KBio2_006555 C6H5ClO 128.56 C1=CC(=CC=C1O)Cl
TCMBANKIN003665 evoden C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)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
TCMBANKIN004744 6β-acetoxy-epilimonin
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
TCMBANKIN004971 dicapryl phthalate SCHEMBL167309; Jsp001875 C24H42O4 394.6 g/mol CCCCCCCC.CCCCCCCC.C1=CC=C(C(=C1)C(=O)O)C(=O)O
TCMBANKIN005294 ginsenoside rd_qt ginsenoside- F3_qt; ginsenoside F2_qt; notoginsenosider4_qt C42H72O13 785.01
TCMBANKIN008084 Daturic acid 67701-03-5; daturicacid; n-Heptadecylic acid; EINECS 266-928-5; 51610_FLUKA; 67255-22-5; 68424-37-3; NSC3743; (C16-C18)Alkylcarboxylic acid; WLN: QV16; NSC 3743; SDA 19-005-00; 8043-36-5; CH3-[CH2]15-COOH; EINECS 264-123-3; 506-12-7; LMFA01010017; AI3-36481; EINECS 208-027-1; Lead(2+) heptadecanoate; 37231-04-2; Margaric acid; 45237-52-3; n-Heptadecanoic acid; 7722-21-6; 63399-94-0; Heptadecylic acid; n-Heptadecoic acid; 39390-60-8; heptadecoic acid; 8000-11-1; (C16-C18) Alkylcarboxylic acid; daturic acid; C14-C22 Fatty acid residue; Heptadecanoic acid; Margarinsaeure; 8034-57-9; CHEBI:32365; Fatty acids, C14-22; 28829-31-4; 8034-58-0; 1338-46-1; 52051-63-5; EINECS 270-298-7; 8034-56-8; 4-02-00-01193 (Beilstein Handbook Reference); Fatty acids, C16-18; BRN 1781004; 176435-16-8; 45237-51-2; H3500_SIGMA; Margarinic acid C17H34O2Pb 478 g/mol CCCCCCCCCCCCCCCCC(=O)O.[Pb]
TCMBANKIN008689 α-cyperene 204.39
TCMBANKIN008989 notoginsenosider3_qt 460.82
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
TCMBANKIN010290 coprine 2-amino-5-[(1-hydroxycyclopropyl)amino]-5-oxopentanoic acid; AC1NAMAQ; 2-amino-4-[(1-hydroxycyclopropyl)carbamoyl]butanoic acid; L-coprine C8H14N2O4 202.21 g/mol C1CC1(NC(=O)CCC(C(=O)O)N)O
TCMBANKIN011010 1-methyl-5-isopropenyl cyclohexene 1-methyl-5-(1-methylethenyl)-cyclohexene C10H16 136.23 CC1=CCCC(C1)C(=C)C
TCMBANKIN012145 2-tridecyl-4-(1h)-quinolone 2-tridecyl-4(1h)-quinolone C22H33NO 327.5 g/mol CCCCCCCCCCCCCC1=CC(=O)C2=CC=CC=C2N1
TCMBANKIN012209 (1S,4S,4aS,6S,8aS)-4-isopropyl-1,6-dimethyldecahydronaphthalene (1S,4S,4aS,6S,8aS)-1,6-dimethyl-4-(propan-2-yl)decahydronaphthalene; CHEBI:36513; (1S,4S,4aS,6S,8aS)-4-isopropyl-1,6-dimethyl-decalin; (1S,4S,4aS,6S,8aS)-1,6-dimethyl-4-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene; (1S,4S,4aS,6S,8aS)-4-isopropyl-1,6-dimethyldecalin C15H28 208.38 g/mol CC1CCC2C(CCC(C2C1)C(C)C)C
TCMBANKIN012328 3,4-Dichlorobutane nitrile C4H5Cl2N 137.99 g/mol C(C#N)C(CCl)Cl
TCMBANKIN012769 3-o-[β-d-glucopyranosyl(1→6)-β-d-glucopy-ranosyl]-20-o-β-d-glucopyranosyl-3β,12β,20(s)-trihydroxydammar-24-ene C48H82O18
TCMBANKIN012798 1-methyl-2-[(z)-6-pentadecenyl]-4(1h)-quinolone AC1O3DPC; 1-methyl-2-pentadec-6-enylquinolin-4-one; 1-methyl-2-pentadec-6-enyl-4( 1h)-quinolone C25H37NO 367.6 g/mol CCCCCCCCC=CCCCCCC1=CC(=O)C2=CC=CC=C2N1C
TCMBANKIN012990 hydroxyevodiamine hydroxy evodiamine; Ambotz526-43-2; 13b-Hydroxy-14-methyl-8,13,13b,14-tetrahydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-one; MolPort-020-005-715; hydroxyevodiamine C19H17N3O2 319.36
TCMBANKIN014524 gossypetin C-19555; CC-29066; 2-[3,4-bis(oxidanyl)phenyl]-3,5,7,8-tetrakis(oxidanyl)chromen-4-one; LMPK12113231; 3,3',4',5,7,8-Hexahydroxyflavone; SCHEMBL157033; BSPBio_002552; 2-(3,4-Dihydroxyphenyl)-3,5,7,8-tetrahydroxychromen-4-one; YRRAGUMVDQQZIY-UHFFFAOYSA-N; Articulatidin; 2-(3,4-Dihydroxyphenyl)-3,5,7,8-tetrahydroxy-4H-chromen-4-one; NCGC00178604-01; SR-05000002577-1; ST059622; CHEBI:16400; Gossypetin; MCULE-3233813708; BDBM26655; 489-35-0; SR-05000002577; VA11031; SET4M23ZTM; FT-0632211; C04109; BRD-K06692906-001-01-6; 2-(3,4-dihydroxyphenyl)-3,5,7,8-tetrahydroxy-4-chromenone; 2-(3,4-dihydroxyphenyl)-3,5,7,8-tetrahydroxy-chromone; 2-(3,4-dihydroxyphenyl)-3,5,7,8-tetrahydroxy-4H-chromen-4-one; 3,5,7,8,3',4'-Hexahydroxyflavone; BP-10444; 4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-3,5,7,8-tetrahydroxy-; CHEMBL253570; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5,7,8-tetrahydroxy-; SPECTRUM1505143; PubChem9855; A827629; 9464AF; 2-(3,4-dihydroxyphenyl)-3,5,7,8-tetrahydroxy-1-benzopyran-4-one; DTXSID50197631; ZINC6525297; UNII-SET4M23ZTM; AKOS024283047; NCGC00096031-02; AC1NQXCW; NCGC00096031-01; MFCD00017680; CCG-231029; 2-(3,4-Dihydroxyphenyl)-3,5,7,8-tetrahydroxy-4H-chromen-4-one #; 2-(3,4-dihydroxyphenyl)-3,5,7,8-tetrahydroxy-chromen-4-one; 2-(3,4-Dihydroxy-phenyl)-3,5,7,8-tetrahydroxy-chromen-4-one; D0Z7EL; Equisporol C15H10O8 318.24 C1=CC(=C(C=C1C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)O)O)O)O
TCMBANKIN014832 rutamine rutamine
TCMBANKIN015100 flavonoid glycoside
TCMBANKIN015785 evgin
TCMBANKIN017713 Obamegine C06513; 57377-42-1; AIDS-171573; AIDS171573; ZINC40163548; 15,30-Diaza-20,25-dimethoxy-15,30-dimethyl-7,23-dioxaheptacyclo[22.6.2.2<3,6>.1<8,12>.1<14,18>.0<22,36>.0<27,31>]hexatriaconta-3(33),4,6(34),8,10,12(35),18(36),19,21,24,26,31-dodecaene-9,21-diol; (1'.BETA.)-6,6'-DIMETHOXY-2,2'-DIMETHYLBERBAMAN-7,12-DIOL; obamegine; Krukovine C36H38N2O6 594.7 CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)O)O)OC
TCMBANKIN017785 protopanoxadiol C30H52O3 460.73
TCMBANKIN018324 (3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6,12-triol (3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-17-[(2S)-2-hydroxy-6-methyl-hept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6,12-triol; (3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-17-[(1S)-1-hydroxy-1,5-dimethyl-hex-4-enyl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6,12-triol; (3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-17-[(1S)-1-hydroxy-1,5-dimethylhex-4-enyl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6,12-triol C42H72O14 801.01
TCMBANKIN018519 2,8-dimethyl-undecanoic
TCMBANKIN018651 Tetrahydromagnolol tetrahydro-magnolol; 2-(2-hydroxy-5-propyl-phenyl)-4-propyl-phenol; DTXSID30415784; CHEMBL32362; magnolignan; D09209; AK558283; MolPort-044-561-199; CTK0J8666; 5,5'-Dipropyl-[1,1'-biphenyl]-2,2'-diol; SCHEMBL662610; 2,2'-dihydroxy-5,5'-dipropyl-biphenyl; 20601-85-8; [1,1'-Biphenyl]-2,2'-diol, 5,5'-dipropyl-; MLO; tetrahydromagnolol; AKOS030533113; 2-(2-hydroxy-5-propylphenyl)-4-propylphenol; BDBM50428092; ZINC29227697; AC1NT0WA C18H22O2 270.4 g/mol CCCC1=CC(=C(C=C1)O)C2=C(C=CC(=C2)CCC)O
TCMBANKIN018853 Octadecyne SBB009112; EINECS 211-114-7; 629-89-0; octadec-1-yne; 1-Octadecyne C18H34 250.46 CCCCCCCCCCCCCCCCC#C
TCMBANKIN018974 erocarpine
TCMBANKIN019026 9,10-dihydroxystearicacid D8539_SIGMA; (9R,10R)-Dihydroxyoctadecanoic acid; UNII-SQL1V605V5; Threo-9,10-dihydroxyoctadecanoic acid; ZINC30726317; 9,10-dihydroxystearic acid; C08314; threo-9,10-Dihydroxystearic acid; UNII-6C8DC6UQ5A component VACHUYIREGFMSP-IAGOWNOFSA-N; UNII-SQL1V605V5 component VACHUYIREGFMSP-IAGOWNOFSA-N; (9R,10R)-9,10-Dihydroxyoctadecanoic acid; LMFA01050527; Octadecanoic acid, 9,10-dihydroxy-, threo-; FT-0667157; Octadecanoic acid, 9,10-dihydroxy-, (9R,10R)-rel-; Octadecanoic acid, 9,10-dihydroxy-, (R*,R*)-; 9,10-Dihydroxystearic acid, threo- C18H36O4 316.5 g/mol CCCCCCCCC(C(CCCCCCCC(=O)O)O)O
TCMBANKIN019381 Pancratistatin C08535; 96203-70-2; NCI60_003105; pancratistatin; SMP1_000217; NSC349156; NCIMech_000573; AC1O8OET; (1R,2S,3R,4R,4aS,11bR)-1,2,3,4,7-pentahydroxy-2,3,4,4a,5,11b-hexahydro-1H-[1,3]dioxolo[4,5-j]phenanthridin-6-one C14H15NO8 325.27 C1OC2=C(O1)C(=C3C(=C2)C4C(C(C(C(C4O)O)O)O)NC3=O)O
TCMBANKIN019480 [(1R)-1-methoxyethyl]benzene 136.21
TCMBANKIN019650 isoevodiamine Evodiamine, (+)-; 21-METHYL-3,13,21-TRIAZAPENTACYCLO[11.8.0.0(2),(1)?.0?,?.0(1)?,(2)?]HENICOSA-2(10),4(9),5,7,15,17,19-HEPTAEN-14-ONE; SR-05000002159-2; MFCD06407824; E1012; 518-18-3; AS-15078; SR-05000002159; AC-24421; NCGC00163553-02; MolPort-003-983-878; ST51052658; AN-45498; N923; CCG-208627; d-Evodiamine; Evodiamine (Isoevodiamine); CHEMBL81925; SureCN682158; MCULE-3374039628; API0002668; 8,13,13b,14-Tetrahydro-14-methylindolo[2'3'-3,4]pyrido[2,1-b]quinazolin-5-[7H]-one; 21-methyl-3,13,21-triazapentacyclo[11.8.0.0^{2,10}.0^{4,9}.0^{15,20}]henicosa-2(10),4,6,8,15(20),16,18-heptaen-14-one; CHEBI:95196; AKOS015894237; BRD-A68631409-001-01-3; (??)-Evodiamine; evodiamine, (S)-isomer; 21-methyl-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20] henicosa-2(10),4,6,8,15,17,19-heptaen-14-one; Oprea1_236793; BCP9000671; Isoevodiamine; Indol(2',3':3,4)pyrido(2,1-b)quinazolin-5(7H)-one, 8,13,13b,14-tetrahydro-14-methyl-, (S)-; BDBM50016250; LS-175304; PubChem18244; BC216230; Evodiamine;; SCHEMBL139349; NSC-258314; 5956-87-6; 14-METHYL-5-OXO-7,8-DIHYDRO-5H-INDOLO[2,3:3,4]PYRIDO[2,1-B]QUINAZOLIN-14-IUM-13-IDE; I05-0067; Indolo(2',3':3,4)pyrido(2,1-b)quinazolin-5(7H)-one, 8,13,13b,14-tetrahydro-14-methyl-; (+/-)-Evodiamine; Indol(2',3':3,4)pyrido(2,1-b)quinazolin-5(7H)-one, 8,13,13b,14-tetrahydro-14-methyl-, (13bS)-; s2382; AC1L461L; NSC258314; NCGC00163553-01; 8,13,13b,14-tetrahydro-14-methylindolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7h)-one; AC1L9C8E; C19H17N3O C19H17N3O 303.4 g/mol CN1C2C3=C(CCN2C(=O)C4=CC=CC=C41)C5=CC=CC=C5N3
TCMBANKIN019670 carboxy evodiamine carboxyevodiamine C20H17N3O3 347.4 g/mol CN1C2C3=C(CC(N2C(=O)C4=CC=CC=C41)C(=O)O)C5=CC=CC=C5N3
TCMBANKIN019900 5- alkene-3β- stigmasterol
TCMBANKIN020195 (+)-Ledol 577-27-5; C09698; 1H-Cycloprop(e)azulen-4-ol, decahydro-1,1,4,7-tetramethyl-, (1aR-(1aalpha,4alpha,4abeta,7alpha,7abeta,7balpha))- C15H26O 222.37 g/mol CC1CCC2C1C3C(C3(C)C)CCC2(C)O
TCMBANKIN020564 2,6-di-tert-butyl-4-methy-phenol
TCMBANKIN020751 (3S,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol (3S,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(2S)-2-hydroxy-6-methyl-hept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol; (3S,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(1S)-1-hydroxy-1,5-dimethylhex-4-enyl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol; (3S,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(1S)-1-hydroxy-1,5-dimethyl-hex-4-enyl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol C53H90O22 1079.27
TCMBANKIN021434 DL-Glucuronic acid 87246-82-0; 87090-89-9; (2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid; C16245; 36116-79-7; 6556-12-3; (2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxo-hexanoic acid; EINECS 229-486-4; (2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-keto-hexanoic acid; 12758-41-7; EINECS 209-401-7 C6H10O7 194.14 C(=O)C(C(C(C(C(=O)O)O)O)O)O
TCMBANKIN021909 Evodiamide N-[2-(1H-indol-3-yl)ethyl]-N-methyl-2-methylaminobenzamide; AC1Q5FLA; A813575; Benzamide, N-(2-(1H-indol-3-yl)ethyl)-N-methyl-2-(methylamino)-; N-[2-(1H-indol-3-yl)ethyl]-N-methyl-2-methylamino-benzamide; 116965-70-9; evodiamide; n-[2-(1h-indol-3-yl)ethyl]-n-methyl-2-(methylamino)benzamide; AC1L4OQR C19H21N3O 307.39 CNC1=CC=CC=C1C(=O)N(C)CCC2=CNC3=CC=CC=C32
TCMBANKIN022927 Evocarpine 1-methyl-2-[(Z)-tridec-8-enyl]-4-quinolone; 11036-30-9; 1-METHYL-8-[(2E)-TRIDEC-2-EN-1-YL]QUINOLIN-4-ONE; 1-methyl-2-[(Z)-tridec-8-enyl]quinolin-4-one; AC1O6A4R; 1-methyl-2-[(Z)-tridec-8-enyl]-4-quinolinone; 1-methyl-8-[(E)-tridec-2-enyl]quinolin-4-one; evocarpine; SCHEMBL15942080 C23H33NO 339.51 CCCCC=CCCCCCCCC1=CC(=O)C2=CC=CC=C2N1C
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
TCMBANKIN023506 3,4-DIMETHYLBIPHENYL 4433-11-8; 1,2-dimethyl-4-phenyl-benzene; 1,1'-Biphenyl, 3,4-dimethyl-; 1,2-dimethyl-4-phenylbenzene C14H14 182.26 g/mol CC1=C(C=C(C=C1)C2=CC=CC=C2)C
TCMBANKIN023797 2-octanone Methyl hexyl ketone; 4-01-00-03339 (Beilstein Handbook Reference); FEMA No. 2802; n-Hexyl methyl ketone; O4709_SIAL; Octanone; NSC 3712; NSC5936; 2-Octanone; EINECS 203-837-1; 27457-18-7; 2-Oxooctane; AI3-05617; HSDB 5545; FEMA Number 2802; Octan-2-one; 2-Octanone (natural); Methyl n-hexyl ketone; 111-13-7; ZINC01672808; BRN 0635843; 2- Octanone; 02479_FLUKA; Hexyl methyl ketone; NSC3712; W280208_ALDRICH C8H16O 128.21 CCCCCCC(=O)C
TCMBANKIN024175 (2S,3R,4R,5R,6S)-2-[[(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-17-[(1S)-1-hydroxy-1,5-dimethylhex-4-enyl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy- (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-6; (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-17-[(2S)-2-hydroxy-6-methyl-hept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-; (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-17-[(1S)-1-hydroxy-1,5-dimethyl-hex-4-enyl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy- C42H72O13 785.01
TCMBANKIN024355 dithiocyclopentene 288-74-4; 1,3-dithiol; 1,3-dithiole; SCHEMBL22569; CTK0J1746; AC1NSUXX; DTXSID40415715 C5H8S2 132.3 g/mol C1CC(=C(C1)S)S
TCMBANKIN024501 1,4,6-trimethyl-1,2,3,4-tetralin 174.31
TCMBANKIN024507 1,1,5,5-tetramethyl-4-methano-2,3,4,6,7,10-hexahydronaphthalene 1,1,5,5-tetramethyl-4-methylidene-3,4a,6,7-tetrahydro-2H-naphthalene; AC1NT0Y7 CC1(CCC=C2C1C(=C)CCC2(C)C)C
TCMBANKIN024983 notoginsenosider4 notoginsenoside r4; Notoginsenoside R4; AC1NSZ7O C59H100O27 1241.59 CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)C)C)O)C)OC7C(C(C(C(O7)COC8C(C(C(C(O8)COC9C(C(C(C(O9)CO)O)O)O)O)O)O)O)O)O)C
TCMBANKIN025024 isopulegone Isopulegone (natural); 5-methyl-2-(1-methylethenyl)-cyclohexanone; SCHEMBL17067705; Isopulegone, (-)-; (-)-Isopulegone; ZINC100075758; Cyclohexanone, 5-methyl-2-(1-methylethenyl)-, trans- (9CI); (2S,5R)-5-METHYL-2-(PROP-1-EN-2-YL)CYCLOHEXAN-1-ONE; AHQ6120987; 2-Isopropenyl-5-methylcyclohexanone #; 17882-43-8; Cyclohexanone, 5-methyl-2-(1-methylethenyl)-, (2S-trans)-; trans-5-Methyl-2-(1-methylethenyl)cyclohexanone; 3alpha-Methyl-6beta-isopropenylcyclohexanone; 1-Isopropyl-4-methyl-2-cyclohexanone; trans-5-Methyl-2-(1-methylvinyl)cyclohexan-1-one; Cyclohexanone, 5-methyl-2-(1-methylethenyl)-, (2S,5R)-; 8(9)-p-Menthen-3-one, delta-; UNII-AHQ6120987; pulegone; RMIANEGNSBUGDJ-BDAKNGLRSA-N; 29606-79-9; p-Menth-8-en-3-one, (1R,4S)-(-)-; UNII-681XD66YSR component RMIANEGNSBUGDJ-BDAKNGLRSA-N; Cyclohexanone, 5-methyl-2-(1-methylethenyl)-, trans-; p-MENTH-8-EN-3-ONE, trans- C10H16O 152.23 g/mol CC1CCC(C(=O)C1)C(=C)C
TCMBANKIN025079 sanchinan-a C53H90O45 1447.3 g/mol C(C1C(C(C(C(O1)O)O)OC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)O)OC4C(C(C(C(O4)COC5C(C(C(O5)CO)O)O)O)O)O)O)O)OC6C(C(C(C(O6)COC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)COC9C(C(C(C(O9)CO)O)O)O)O)O)O)O)O)O)O)O)O)O
TCMBANKIN025182 3(-E)-p- coumaroyl betulin
TCMBANKIN025342 Gypenoside XIV_qt ginsenoside rb3_qt; Notoginsenoside Fe_qt C42H72O12 769.01
TCMBANKIN025846 Mycosinol AC1NQY4E; (3E)-3-hexa-2,4-diynylidene-4,9-dioxaspiro[4.4]nona-1,7-dien-6-ol; (2E)-2-hexa-2,4-diynylidene-1,6-dioxaspiro[4.4]nona-3,7-dien-9-ol; (2E)-2-Hexa-2,4-diynylidene-1,6-dioxaspiro(4.4)nona-3,7-dien-9-ol; NSC-653382; mycosinol; 111768-19-5; CHEBI:7038; C08455; NSC653382; CHEMBL1968944 C13H10O3 214.22 CC#CC#CC=C1C=CC2(O1)C(C=CO2)O
TCMBANKIN026213 (2S,3R,4S,5S,6R)-2-[(2S)-2-[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-3-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-12-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,1 (2S,3R,4S,5S,6R)-2-[(2S)-2-[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-3-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxy-12-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,; (2S,3R,4S,5S,6R)-2-[(1S)-1-[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-3-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-methylol-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-12-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,; (2S,3R,4S,5S,6R)-2-[(1S)-1-[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-3-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-12-hydroxy-4,4,8,10,14-pentamethyl-2,; (2S,3R,4S,5S,6R)-2-[(1S)-1-[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-3-[[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2-tetrahydropyranyl]oxy]-12-hydroxy-4,4,8,10,14-pentamethyl C48H82O18 947.15
TCMBANKIN026694 2,4-Hexadiene, 3,4-dimethyl-, (E,Z)- (2E,4Z)-3,4-dimethylhexa-2,4-diene; 2417-88-1; (E),(Z)-(CH3CH=C(CH3))2 C8H14 110.2 CC=C(C)C(=CC)C
TCMBANKIN026714 Cyclooctadiene NSC105773; cycloocta-1,3-diene; InChI=1/C8H12/c1-2-4-6-8-7-5-3-1/h1-4H,5-8H2/b3-1-,4-2; cis,cis-1,3-Cyclooctadiene; NSC 105773; UN2520; 274100_ALDRICH; (1Z,3Z)-cycloocta-1,3-diene; NSC72422; (3Z)-cycloocta-1,3-diene; 1700-10-3; 1,3-Cyclooctadiene, (Z,Z)-; 29965-97-7; 29570_FLUKA; ST5409770; NSC 72422; Cyclooctadienes [UN2520] [Flammable liquid]; AI3-26696; 1,3-cyclooctadiene, (1Z,3Z)-; (1Z,3E)-cycloocta-1,3-diene; 489395_ALDRICH; 1,3-Cyclooctadiene; 3806-59-5; EINECS 216-929-1 C8H12 108.18 C1CCC=CC=CC1
TCMBANKIN027880 (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2S)-6-methyl-2-[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,6,12-trihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-en-2-yl]oxyoxane-3,4,5-triol (2S,3R,4S,5S,6R)-2-[(1S)-1,5-dimethyl-1-[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,6,12-trihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hex-4-enoxy]-6-methylol-tetrahydropyran-3,4,5-triol; (2S,3R,4S,5S,6R)-2-[(1S)-1,5-dimethyl-1-[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,6,12-trihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hex-4-enoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol; (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2S)-6-methyl-2-[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,6,12-trihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-en-2-yl]oxy-oxane-3,4,5-triol C36H62O9 638.87 CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CC(C4C3(CCC(C4(C)C)O)C)O)C)O)C)OC5C(C(C(C(O5)CO)O)O)O)C
TCMBANKIN029663 Exaltolide AK103359; UNII-OK17S3S98K; Pentadecanolide, 98%; Muskalactone; Oxacyclohexadecan-2-one, 9CI, 8CI; DSSTox_CID_24359; OK17S3S98K; Oxacyclohexadecan-2-one; 1, 15-Pentadecanolide; FT-0624246; ZINC4023520; Thibetolide; Pentadecanolide; STOCK1N-01825; Pentadecanoic acid, 15-hydroxy-, laquo Xiraquo -lactone; SCHEMBL114310; Cyclopentadecanolide; Jsp000558; 1,15-Pentadecanolide; EC 203-354-6; FEMA 2840; 15-Pentadecanolide; DTXSID6044359; PENTADECALACTONE; 16-oxacyclohexadecan-1-one; Pentadecanolactone; Tox21_301123; 1,15 -pentadecanolide; NSC36763; AJ-47717; Muskolactone; FKUPPRZPSYCDRS-UHFFFAOYSA-N; DSSTox_RID_80167; NSC 36763; ANW-64867; ST50330570; MCULE-2237516421; omega-Pentadecalactone; MolPort-002-508-812; MFCD00039667; 81031-90-5; NCGC00255022-01; exaltolide; J-001527; KB-259122; AC1Q6HS8; CAS-106-02-5; RT-000456; ST2419763; 2-oxacyclohexadecan-1-one; Cyclopentadecanolactone; 1-oxacyclohexadecan-2-one; pentadecano-15-lactone; 1-Oxa-2-cyclohexadecanone; Pentalide; NCGC00248297-01; NSC-36763; P0985; Pentadecan-15-olide; CHEMBL3560504; Pentadecanolide, puriss., >=99.0% (GC); 106-02-5; AC1L5UBZ; Pentadecanoic acid, 15-hydroxy-, .xi.-lactone; BC213449; 2-Pentadecalone; Pentadecanoic acid, .xi.-lactone; 15-Pentadecanolactone; AKOS015964064; KS-00000WPF; 15-Hydroxypentadecanoic acid lactone; 15-Hydroxypentadecanoic acid, lactone; omega-Pentadecalactone, >=98%, FG; TC-153612; DSSTox_GSID_44359; AC-9864 C15H28O2 240.38 C1CCCCCCCOC(=O)CCCCCC1
TCMBANKIN030931 1,2-DIHYDRO-1,5,8-TRIMETHYLNAPHTHALENE 1,4,5-trimethyl-5,6-dialin; 1,2-dihydro-1,5,8-trimethylanaphthalene C13H16 172.27 g/mol CC1CC=CC2=C(C=CC(=C12)C)C
TCMBANKIN031004 wuchuyine C10H13NO2 179.218
TCMBANKIN031239 3,3-Dimethyl allyl-p-propenyl phenyl ether 1-[(3-Methyl-2-butenyl)oxy]-4-[(1E)-1-propenyl]benzene #; 1-(3-methylbut-2-enoxy)-4-prop-1-enyl-benzene; Benzene, 1-(3-methyl-2-butenoxy)-4-(1-propenyl)-; UNII-QO3391G00A; Foeniculin, (E)-; (E)-Foeniculin; 1-(3-Methyl-2-butenyloxy)-4-(1-propenyl)benzene; 1-(3-Methyl-2-butenoxy)-4-(1-propenyl)benzene; DTXSID20228921; 1-(3-methylbut-2-enoxy)-4-prop-1-enylbenzene; 78259-41-3; QO3391G00A; JGELFJUQMIUNOO-SNAWJCMRSA-N; 1-(3-methylbut-2-enoxy)-4-[(E)-prop-1-enyl]benzene; 3,3-dimethyl allyl-p-propenyl phenyl ether; AC1NSUUD C14H18O 202.29 g/mol CC=CC1=CC=C(C=C1)OCC=C(C)C
TCMBANKIN031422 DICHLOROANILINE 35160_FLUKA; Dichloroanilines, liquid [UN1590] [Poison]; 2,3-Dichloranilin; InChI=1/C6H5Cl2N/c7-4-2-1-3-5(9)6(4)8/h1-3H,9H; 608-27-5; (2,3-dichlorophenyl)amine; 36701_RIEDEL; Dichloroanilines; 2,3-Dichloroaniline; 27134-27-6; 2,3-Dichlorobenzenamine; Aniline, 2,3-dichloro-; NSC60683; NCGC00163985-01; Benzenamine, 2,3-dichloro-; Benzenamine, ar,ar-dichloro-; NSC 60683; ZINC00388504; EINECS 210-157-9; ST5406286; CHEBI:46636; HSDB 5433; Aniline, 2,3-dichloro- (7CI,8CI); Ar,ar-dichlorobenzenamine; UN1590; D55407_ALDRICH; Dichloroanilines, solid [UN1590] [Poison] C6H5Cl2N 162.02 C1=CC(=C(C(=C1)Cl)Cl)N
TCMBANKIN031470 gypenosideix Gypenoside IX; gypenoside ix C47H80O17 917.13 CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)O)C)C)O)C)OC6C(C(C(C(O6)COC7C(C(C(CO7)O)O)O)O)O)O)C
TCMBANKIN032647 Isoaloesin 7-hydroxy-5-methyl-2-(2-oxopropyl)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one; 7-hydroxy-5-methyl-2-(2-oxopropyl)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one; 2-acetonyl-7-hydroxy-5-methyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one; isoaloesin; 2-acetonyl-7-hydroxy-5-methyl-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-chromenone; 2-acetonyl-7-hydroxy-5-methyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone 410.41 CC1=C2C(=CC(=C1OC3C(C(C(C(O3)CO)O)O)O)O)OC(=CC2=O)CC(=O)C
TCMBANKIN032871 3,5-dimethoxybenzoicacid C9H10O4 182.17 g/mol COC1=CC(=CC(=C1)C(=O)O)OC
TCMBANKIN032998 3β-o-β-d-glucopyranosyl-20-o-[α-l-arabino-pyranosyl(1→2)-β-d-glucopyranosyl]3β,12β,20(s)-trihydroxydammar-24-ene C47H80O17 CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)O)C)C)O)C)OC6C(C(C(C(O6)CO)O)O)OC7C(C(C(CO7)O)O)O)C
TCMBANKIN033440 n-methylanthranylamide CNC1=CC=CC=C1C(=O)N
TCMBANKIN033879 panaxatriol (3beta,6alpha,12beta,20R)-20,25-Epoxydammarane-3,6,12-triol; Panaxatriol; UPCMLD-DP046:002; SR-05000002178-2; 32791-84-7; (20S)-Panaxatriol; NSC 308880; SR-05000002178; NCGC00161615-01; (3S,5R,6R,8R,9R,10R,12R,13R,14R,17S)-4,4,8,10,14-pentamethyl-17-[(2R)-2,6,6-trimethyltetrahydropyran-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6,12-triol; AIDS031251; MolPort-039-338-080; Dammarane-3,6,12-triol, 20,25-epoxy-, (3.beta.,6.beta.,12.beta.,20R)-; CCG-208596; AIDS-031251; UPCMLD-DP046:001; Ambotz32791-84-7; ZINC17654227; UPCMLD-DP046; (3S,5R,6R,8R,9R,10R,12R,13R,14R,17S)-4,4,8,10,14-pentamethyl-17-[(2R)-2,6,6-trimethyloxan-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6,12-triol; (3S,5R,6R,8R,9R,10R,12R,13R,14R,17S)-4,4,8,10,14-pentamethyl-17-[(2R)-2,6,6-trimethyl-2-tetrahydropyranyl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6,12-triol; CHEMBL1357750 C30H52O4 476.73 CC1(CCCC(O1)(C)C2CCC3(C2C(CC4C3(CC(C5C4(CCC(C5(C)C)O)C)O)C)O)C)C
TCMBANKIN034086 goshuyuamide- i & ii
TCMBANKIN035035 epsilon-Cadinene AC1NST8E; (4aR)-4,7-dimethylidene-1-propan-2-yl-1,2,3,4a,5,6,8,8a-octahydronaphthalene; epsilon-cadinene C15H24 204.35 g/mol CC(C)C1CCC(=C)C2C1CC(=C)CC2
TCMBANKIN035097 1-Methyl-4-isoallyl-cyclohexane 1-methyl-4-[(E)-prop-1-enyl]cyclohexane; 1-methyl-4-isoallyl-cyclohexane; AC1NSYG7 C10H18 138.28 CC=CC1CCC(CC1)C
TCMBANKIN035137 (2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-[oxo-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]methyl]-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-di (2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-[(; (2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydrox; (2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-[(2S,3R C48H76O19 957.11
TCMBANKIN035440 dauricine AKOS015965146; AC-20217; SCHEMBL677474; 524-17-4 C38H44N2O6 624.77 CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)OC4=C(C=CC(=C4)CC5C6=CC(=C(C=C6CCN5C)OC)OC)O)OC)OC
TCMBANKIN036179 eicosylferulate Eicosyl ferulate; (Z)-3-(4-hydroxy-3-methoxy-phenyl)acrylic acid arachyl ester; eicosyl ferulate; icosyl (Z)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate; (Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid icosyl ester; icosyl (Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate C30H50O4 474.7 g/mol CCCCCCCCCCCCCCCCCCCCOC(=O)C=CC1=CC(=C(C=C1)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
TCMBANKIN036500 graveoline HMS1570G09; Graveolin; HMS2097G09; DS-19520; Prestwick2_000674; CAS-485-61-0; 2-(2H-1,3-benzodioxol-5-yl)-1-methyl-1,4-dihydroquinolin-4-one; CCG-208356; SR-01000737557; 485-61-0; 2-(1,3-Benzodioxol-5-yl)-1-methyl-4(1H)-quinolinone (graveoline); CHEMBL1371756; Prestwick1_000674; AC1L733Y; SPBio_002688; MolPort-002-511-146; 4(1H)-Quinolinone,2-(1,3-benzodioxol-5-yl)-1-methyl-; SMR000386974; 2-(1,3-benzodioxol-5-yl)-1-methylquinolin-4-one; BG00620484; MLS001048950; Prestwick_165; Oprea1_746980; Prestwick0_000674; HMS2268L04; Alkaloid from Ruta angustifolia plant; SR-01000737557-3; NSC603064; STOCK1N-10299; 2-(benzo[d][1,3]dioxol-5-yl)-1-methylquinolin-4(1H)-one; COBBNRKBTCBWQP-UHFFFAOYSA-N; KS-00000TWJ; CTK8G0098; NCGC00016465-01; C10689; NSC-603064; Prestwick3_000674; AK550206; AKOS002141814; 1-Methyl-2-(3,4-methylenedioxyphenyl)-4(1H)-quinolinone; NCGC00179443-01; BRD-K92683369-001-03-6; Graveoline; DTXSID80326593; 2-(1,3-Benzodioxol-5-yl)-1-methyl-4(1H)-quinolinone, 9CI; BSPBio_000767; 4(1H)-Quinolinone, 2-(1,3-benzodioxol-5-yl)-1-methyl-; CHEBI:5541; Foliosine; ZINC265501; MCULE-1487710181; NCGC00016465-02; BPBio1_000845 C17H13NO3 279.29 g/mol CN1C2=CC=CC=C2C(=O)C=C1C3=CC4=C(C=C3)OCO4
TCMBANKIN036872 ginsenoside Rh2 ginsenoside-rh2; 78214-33-2; (2R,3R,4S,5S,6R)-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-17-[(1S)-1-hydroxy-1,5-dimethylhex-4-enyl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-tri; (2R,3R,4S,5S,6R)-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-17-[(1S)-1-hydroxy-1,5-dimethyl-hex-4-enyl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-methylol-tetrahydropyran-3,4,5-triol; (2R,3R,4S,5S,6R)-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-17-[(2S)-2-hydroxy-6-methyl-hept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol; (2R,3R,4S,5S,6R)-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol; (2R,3R,4S,5S,6R)-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-17-[(1S)-1-hydroxy-1,5-dimethyl-hex-4-enyl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-tr; beta-D-Glucopyranoside, (3beta,12beta)-12,20-dihydroxydammar-24-en-3-yl; ginsenoside rh 2; Ginsenoside Rg3 metabolite; ginsenoside rh-2 C36H62O8 623 C1([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])[C@@]([H])(O[H])[C@]([H])([C@@]([H])([C@](O[H])(C([H])([H])[H])C([H])([H])C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])C([H])( [H])C2([H])[H])[C@@]23C([H])([H])[H])[C@@]3(C([H])([H])[H])C([H])([H])C4([H])[H])[C@@]4([H])C(C([H])([H])[H])(C([H])([H])[H])[C@]1([H])O[C@@]5([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])( O[H])[C@@]5([H])O[H]
TCMBANKIN036873 Ginsenoside Rd ginsenoside-rd; ginsenosiderd; A829210; 2-(hydroxymethyl)-6-[6-(hydroxymethyl)-2-[[17-[2-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-methyl-hept-5-en-2-yl]-4,4,8,10,14-pentamethyl-3,12-bis(oxidanyl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-b; 2-[[2-[[3,12-dihydroxy-4,4,8,10,14-pentamethyl-17-[6-methyl-2-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]hept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)-3-oxanyl]oxy]-6 947
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]
TCMBANKIN036909 Notoginsenoside R1 A839906; notoginsenosider1; notoginsenoside r1 ; 2-(hydroxymethyl)-6-[2-[6-[6-(hydroxymethyl)-3-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-4,4,8,10,14-pentamethyl-3,12-bis(oxidanyl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-hept-5-en-2-yl]oxy-oxane-3,4,5-triol; oxa; (2S,3R,4S,5S,6R)-2-[(2S)-2-[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-6-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahyd; 80418-24-2; (2S,3R,4S,5S,6R)-2-[(1S)-1-[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-6-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-methylol-3-[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15; (2S,3R,4S,5S,6R)-2-[(2S)-2-[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-6-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-oxan-2-yl]oxy-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahy; C08961; 2-[2-[6-[[4,5-dihydroxy-6-(hydroxymethyl)-3-methyl-2-oxanyl]oxy]-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-en-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol; oxane-2,3,4; (2S,3R,4S,5S,6R)-2-[(1S)-1-[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-6-[[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2S,3R,4S,5R)-3,4,5-trihydroxy-2-tetrahydropyranyl]oxy]-2-tetrahydropyranyl]oxy]-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,1; (2S,3R,4S,5S,6R)-2-[(1S)-1-[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-6-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,1; Notoginsenoside R1 C47H80O18 933 C1([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])[C@@]([H])(O[H])[C@]([H])([C@@]([H])([C@](C([H])([H])[H])(C([H])([H])C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])O[C@@]2([H]) O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])C([H])([H])C3([H])[H])[C@@]34C([H])([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])[C@@]5([H])O[C@@]6([H])O[C@]([H])(C([H])([H])O[H] )[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]6([H])O[C@@]7([H])OC([H])([H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]7([H])O[H])[C@@]5([H])C(C([H])([H])[H])(C([H])([H])[H])[C@]1([H])O[H]
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
TCMBANKIN037051 notoginsenoside D C64H108O31 1374 C1([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])[C@@]([H])(O[H])[C@]([H])([C@@]([H])([C@](C([H])([H])[H])(C([H])([H])C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])O[C@@]2([H]) O[C@]([H])(C([H])([H])O[C@@]3([H])O[C@]([H])(C([H])([H])O[C@@]4([H])OC([H])([H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]4([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])[C@@]([H])(O[H])[C@]([H])( O[H])[C@@]2([H])O[H])C([H])([H])C5([H])[H])[C@@]56C([H])([H])[H])[C@@]6(C([H])([H])[H])C([H])([H])C7([H])[H])[C@@]7([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]1([H])O[C@@]8([H])O[C@]([H])(C([H])([H])O[ H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]8([H])O[C@@]9([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]9([H])O[C@@]%10([H])OC([H])([H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]%10([H])O[H]
TCMBANKIN037057 Arachidoside 2H-1-Benzopyran-3,5,7-triol, 3,4-dihydro-2-(4-hydroxy-3-methoxyphenyl)-, (2R-cis)-; 3'-o-methylepicatechin; 2H-1-Benzopyran-3,5,7-triol, 3,4-dihydro-2-(4-hydroxy-3-methoxyphenyl)-, (2R,3R)-; 3'-Methylepicatechin; arachidoside; 76549-34-3; 3'-O-Methyl-(-)-epicatechin; 3'-O-METHYL EPICATECHIN; Symplocosidin; 67FI825885; (2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol; LMPK12020111; CHEMBL2297044; SCHEMBL349242; CHEBI:70254; UNII-67FI825885 304.29 g/mol
TCMBANKIN037219 quinquenoside IV C54H90O24 1123 C1([H])([H])C([H])([H])[C@@]2(C([H])([H])[H])C(=C([H])[C@]([H])(O[H])[C@]3(C([H])([H])[H])[C@]2([H])C([H])([H])[C@@]([H])(O[H])[C@]([H])([C@@]([H])([C@](C([H])([H])[H])(C([H])([H])C([H])([H])\C([H])=C (/C([H])([H])[H])\C([H])([H])[H])O[C@@]4([H])O[C@@]([H])(C([H])([H])O[C@@]5([H])O[C@@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]5([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]4([H])O[H]) C([H])([H])C6([H])[H])[C@]36C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]1([H])O[C@@]7([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]7([H])O[C@@]8([H])O[C@@]([H])(C([H])([ H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]8([H])O[H]
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]
TCMBANKIN037364 Cyclo-(Leu-Tyr) 276.33 g/mol
TCMBANKIN037406 notoginsenoside H C47H80O19 949 C1([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])[C@@]([H])(O[H])[C@]([H])([C@@]([H])([C@](OC#CC#CC#C[H])(O[C@]2([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([ H])O[H])C([H])([H])[H])C([H])([H])C3([H])[H])[C@@]34C([H])([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])[C@@]5([H])O[C@]6([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]6([H])O[C@]7([H ])OC([H])([H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]7([H])O[H])[C@@]5([H])C(C([H])([H])[H])(C([H])([H])[H])[C@]1([H])O[H].[H][H].[H][H].[H][H].[H][H].[H][H]
TCMBANKIN037434 quinquenoside II C63H106O24 1247 [C@@]1([H])(O[C@]([H])(O[C@]2([H])C([H])([H])O[H])[C@]([H])(O[C@]([H])(O[C@]3([H])C([H])([H])OC(=O)\C([H])=C([H])\C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O [H])[C@]3([H])O[H])[C@@]([H])(O[H])[C@]2([H])O[H])C([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])[C@@]([H])(O[H])[C@]([H])([C@@]([H])([C@@](C([H])([H])[H])(OC([H])([H])[C@]([H])(O[C@ ]4([H])C([H])([H])O[C@]([H])(O[C@]5([H])C([H])([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]5([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]4([H])O[H])C([H])([H])C([H])([H])\C([H])=C(/C([H])([H])[H])\C([ H])([H])[H])C([H])([H])C6([H])[H])[C@@]67C([H])([H])[H])[C@@]7(C([H])([H])[H])C([H])([H])C8([H])[H])[C@@]8([H])C1(C([H])([H])[H])C([H])([H])[H]
TCMBANKIN037648 Lutein SMP1_000317; (1R,4R)-4-[18-[(4R)-4-hydroxy-2,6,6-trimethyl-1-cyclohexenyl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-2-en-1-ol; SCHEMBL10029505; CHEBI:28838; NSC59193; (1R,4R)-4-[18-[(4R)-4-hydroxy-2,6,6-trimethyl-1-cyclohexenyl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-1-cyclohex-2-enol; C08601; LMPR01070274; (1R,4R)-4-[18-[(4R)-4-hydroxy-2,6,6-trimethyl-1-cyclohexenyl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-cyclohex-2-en-1-ol; (1R,4R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethyl-1-cyclohexenyl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-cyclohex-2-en-1-ol; lutein; 127-40-2; Xanthophyll; (3R,3'R,6'R)-beta,epsilon-carotene-3,3'-diol; BCBcMAP01_000190; (1R,4R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethyl-1-cyclohexenyl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-2-en-1-ol; (1R,4R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethyl-1-cyclohexenyl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-1-cyclohex-2-enol C40H56O2 568.87 CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CC(CC2(C)C)O)C)C)C
TCMBANKIN037651 Dehydroevodiamine Dehydroevodiamine HCl; Dehydroevidiamine; AC1L4G2I; LS-190115; AK-693/21141027; BDBM50131047; AJ-63808; 14-Methyl-5-oxo-5,7,8,13-tetrahydro-indolo[2'',3'':3,4]pyrido[2,1-b]quinazolin-14-ium; ZINC13434330; CHEMBL81923 301.3 g/mol
TCMBANKIN037943 cyclo-(ile-ala) C9H16N2O2 184.24 g/mol CCC(C)C1C(=O)NC(C(=O)N1)C
TCMBANKIN038189 gypenoside XVII Gypenoside XVII; gypenosidexvii; gypenosideXVII C48H82O18 947 C1([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])[C@@]([H])(O[H])[C@]([H])([C@@]([H])([C@](O[C@]([H])(O[C@]([H])(C([H])([H])O[C@]([H])(O[C@]([H])(C([H])([H])O[H])[C@@]2([H])O[H])[C@]( [H])(O[H])[C@@]2([H])O[H])[C@@]3([H])O[H])[C@]([H])(O[H])[C@@]3([H])O[H])(C([H])([H])[H])C([H])([H])C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])C([H])([H])C4([H])[H])[C@@]45C([H])([H])[H])[C@ @]5(C([H])([H])[H])C([H])([H])C6([H])[H])[C@@]6([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]1([H])O[C@]([H])(O[C@]([H])(C([H])([H])O[H])[C@@]7([H])O[H])[C@]([H])(O[H])[C@@]7([H])O[H]
TCMBANKIN038261 obacunoic acid 751-29-1; obacunoic acid; obacunonic acid; DTXSID70715316; (2E)-3-[(3aS,5aR,6R,7R,9aR,9bR,10aS)-3-(Furan-3-yl)-7-(2-hydroxypropan-2-yl)-3a,6,9a-trimethyl-1,9-dioxododecahydronaphtho[2,1-c]oxireno[d]pyran-6-yl]prop-2-enoic acid; obacunoicacid; OBACUNOIC ACID; NSC314320; NSC-314320 C33H44O11 617 [C@]12([C@]([H])(OC(=O)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)O[H])[C@@]([H])(C(C([H])([H])[H])(C([H])([H])[H])OC1([H])[H])C([H])([H])C(=O)[C@]3(C([H])( [H])[H])[C@@]2([H])C([H])([H])C([H])([H])[C@@]4(C([H])([H])[H])[C@@]35[C@@]([H])(O5)C(=O)O[C@@]4([H])c6c([H])c([H])oc6[H]
TCMBANKIN038296 quinquenoside V C60H102O28 1271 [C@@]1([H])(O[C@]([H])(O[C@]2([H])C([H])([H])O[H])[C@]([H])(O[C@]([H])(O[C@]3([H])C([H])([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]3([H])O[H])[C@@]([H])(O[H])[C@]2([H])O[H])C([H])([H])C([H])([H])[C@ ](C([H])([H])[H])([C@@]([H])(C([H])([H])[C@@]([H])(O[H])[C@]([H])([C@@]([H])([C@@](C([H])([H])[H])(O[C@]4([H])O[C@]([H])(C([H])([H])O[C@]5([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[C@@]6([H])O[C@]([ H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]6([H])O[H])[C@]([H])(O[H])[C@@]5([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]4([H])O[H])C([H])([H])C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H]) ([H])[H])C([H])([H])C7([H])[H])[C@@]78C([H])([H])[H])[C@@]8(C([H])([H])[H])C([H])([H])C9([H])[H])[C@@]9([H])C1(C([H])([H])[H])C([H])([H])[H]
TCMBANKIN038305 1-methyl-2-[(z)-5-undecenyl]-4-(1h)-quinolone 1-methyl-2-[(z)-5-undecenyl]-4(1h)-quinolone C21H29NO 311.5 g/mol CCCCCC=CCCCCC1=CC(=O)C2=CC=CC=C2N1C
TCMBANKIN038532 δ-Cadinene δ- cadinene 204.39
TCMBANKIN038539 δ-Guaiene δ- guaiene
TCMBANKIN038665 Sytingaldehyde C9H10O4 182.173 c1(O[H])c(OC([H])([H])[H])c([H])c(C([H])=O)c([H])c1OC([H])([H])[H]
TCMBANKIN039287 Panaxydol 72800-72-7; (3R)-8-[(2R,3S)-3-heptyloxiran-2-yl]oct-1-en-4,6-diyn-3-ol; panaxydol ; (3R)-8-[(2R,3S)-3-heptyl-2-oxiranyl]oct-1-en-4,6-diyn-3-ol; 1-Octene-4,6-diyn-3-ol, 8-(3-heptyloxiranyl)-; 2alpha-Heptyl-3beta-(6-hydroxy-7-octene-2,4-diynyl)oxirane 260.371
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]
TCMBANKIN039620 Cyclo-(Ala-Pro) 168.19 g/mol
TCMBANKIN039839 1,3,4-Tridehydrofangchinolium hydroxide 1,3,4-tridehydrofangchinolium hydroxide C37H39N2O6 607.78 CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6=[N+](CCC7=CC(=C(C(=C76)O3)O)OC)C)OC)OC
TCMBANKIN040012 cyclo-(phe-ala) C12H14N2O2 CC1C(=O)NC(C(=O)N1)CC2=CC=CC=C2
TCMBANKIN040128 Echinopsine 4(1H)-Quinolinone, hydrochloride; AC1Q3BN7; 4(1H)-Quinolinone, 1-methyl-, hydrochloride; NSC-94251; NSC94251; Echinopsine hydrochloride; UNII-2607LC44K4; Echinopsine hydrochloride [MI]; 4(1H)-Quinolone, 1-methyl-, hydrochloride; 4(1H)-Quinolinone, 1-methyl-, hydrochloride (1:1); 2607LC44K4; 4(1h)-quinolinone,1-methyl-,hydrochloride; KB-304162; 4(1H)-Quinolone, hydrochloride; 1-methyl-1,4-dihydroquinolin-4-one hydrochloride; 5800-99-7 159.18
TCMBANKIN040211 Ginsenoside Rg1 ginsenosiderg1; ginsenoside r g1; sanchinoside C1; (20S)-3beta,12beta-Dihydroxy-4,4,8beta,14alpha-tetramethyl-6alpha,20-bis(beta-D-glucopyranosyloxy)-18-norcholestane-24-ene 801.01
TCMBANKIN040212 Cyclo-(Leu-Ala) 184.24 g/mol
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]
TCMBANKIN040419 panaxytriol (3R,9S,10S)-Panaxytriol; SCHEMBL87655; heptadeca-1-ene-4,6-diyne-3,9,10-triol; Panaxytriol C17H26O3 278.39 CCCCCCCC(C(CC#CC#CC(C=C)O)O)O
TCMBANKIN040444 ginsenoside rc 2-[[2-[[17-[2-[[6-[[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]oxymethyl]-3,4,5-trihydroxy-2-oxanyl]oxy]-6-methylhept-5-en-2-yl]-12-hydroxy-4,4,10,14-tetramethyl-1,2,3,5,6,7,8,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4,5-dihydr; ginsenosiderc; I06-0733; 2-(hydroxymethyl)-6-[6-(hydroxymethyl)-2-[[17-[2-[6-[[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-methyl-hept-5-en-2-yl]-4,4,10,14-tetramethyl-12-oxidanyl-1,2,3,5,6,7,8,9,11,12,13,15,16,17-tetradecahydrocy; A802167 C53H90O22 1079.27 CC(=CCCC(C)(C1CCC2(C1C(CC3C2CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)C)O)C)OC7C(C(C(C(O7)COC8C(C(C(O8)CO)O)O)O)O)O)C
TCMBANKIN041090 1-methyl-2-[(z)-9-pentadecenyl]-4-(1h)-quinolone 1-methyl-2-[(z)-9-pentadecenyl]-4(1h)-quinolone C25H37NO 367.6 g/mol CCCCCC=CCCCCCCCCC1=CC(=O)C2=CC=CC=C2N1C
TCMBANKIN041265 β,β-Dimethylacrylalkannin beta,beta-dimethylacrylalkannin 370.4 g/mol
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
TCMBANKIN041320 cyperene Cyperene; 2387-78-2; (-)-cyperene; LMPR0103450002; α-cyperene; 3H-3a,7-Methanoazulene, 2,4,5,6,7,8-hexahydro-1,4,9,9-tetramethyl-, (3aR-(3aalpha,4beta,7alpha))- C15H24 204.351 C1([H])([H])C([H])([H])C(C([H])([H])[H])=C2[C@@]13C(C([H])([H])[H])(C([H])([H])[H])[C@]([H])(C2([H])[H])C([H])([H])C([H])([H])[C@@]3([H])C([H])([H])[H]
TCMBANKIN041461 Cyclo-(Leu-Ile) 226.32 g/mol
TCMBANKIN041496 cyclo-(leu-thr) C10H18N2O3 CC(C)CC1C(=O)NC(C(=O)N1)C(C)O
TCMBANKIN041672 ginsenoside Rf (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-17-[(2S)-2-hydroxy-6-methyl-hept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-; C08945; (2S,3R,4S,5S,6R)-2-[[(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-17-[(1S)-1-hydroxy-1,5-dimethylhex-4-enyl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-; ginsenoside r f; ginsenoside-rf; Ginsenoside Rf; (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-17-[(1S)-1-hydroxy-1,5-dimethyl-hex-4-enyl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-; ginsenosiderf; 52286-58-5; (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-6 C42H72O14 801 C1([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])[C@@]([H])(O[H])[C@]([H])([C@@]([H])([C@](C([H])([H])C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])(O[H])C([H])([H])[H])C([H])( [H])C2([H])[H])[C@@]23C([H])([H])[H])[C@@]3(C([H])([H])[H])C([H])([H])[C@]4([H])O[C@@]5([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]5([H])O[C@@]6([H])O[C@@]([H])(C([H])([H])O[H] )[C@]([H])(O[H])[C@@]([H])(O[H])[C@]6([H])O[H])[C@@]4([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]1([H])O[H]
TCMBANKIN042311 (S)-Dencichine
TCMBANKIN042337 Ditertbutyl phthalate Di-(terc-butilperoxi)ftalato; 30448-43-2; SCHEMBL109178; DTXSID10184527; EINECS 250-204-0; benzene-1,2-dicarboxylic acid ditert-butyl ester; Diperoxyphtalate de tert-butyle; 1,2-Benzenedicarboxylicacid, 1,2-bis(1,1-dimethylethyl) ester; AC1L3T9P; ditertbutyl phthalate; AKOS030616148; CTK4G5219; AK661164; Phthalic acid ditert-butyl ester; Peroxyphthalic acid, di-tert-butyl ester (8CI); Di-(tert-butylperoxy) phthalate, >55% in solution; AC1Q5XKL; ditert-butyl benzene-1,2-dicarboxylate; ZINC5353715; Di-tert-butyl phthalate; ACM30448432; 1,2-DI-TERT-BUTYL PHTHALATE; 134115-67-6 C16H22O4 278.34 CC(C)(C)OC(=O)C1=CC=CC=C1C(=O)OC(C)(C)C
TCMBANKIN042413 Notoginsenoside B 1123.3 g/mol
TCMBANKIN042614 quinquenoside III C50H84O19 989 [C@@]1([H])(O[C@]([H])(O[C@]2([H])C([H])([H])OC(C([H])([H])[H])=O)[C@]([H])(O[C@]([H])(O[C@]3([H])C([H])([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]3([H])O[H])[C@@]([H])(O[H])[C@]2([H])O[H])C([H])([H ])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])[C@@]([H])(O[H])[C@]([H])([C@@]([H])([C@@](C([H])([H])[H])(O[C@]4([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]4([H])O[H]) C([H])([H])C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])C([H])([H])C5([H])[H])[C@@]56C([H])([H])[H])[C@@]6(C([H])([H])[H])C([H])([H])C7([H])[H])[C@@]7([H])C1(C([H])([H])[H])C([H])([H])[H]
TCMBANKIN042955 Notoginsenoside M 963.2 g/mol
TCMBANKIN043074 notoginsenoside N C48H82O19 963 C1([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])[C@@]([H])(O[H])[C@]([H])([C@@]([H])([C@](O[C@@]2([H])O[C@@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]2([H])O[H])(C([H] )([H])[H])C([H])([H])C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])C([H])([H])C3([H])[H])[C@@]34C([H])([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])[C@]5([H])O[C@@]6([H])O[C@]([H])(C([H])([H])O[H]) [C@@]([H])(O[C@@]7([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]7([H])O[H])[C@]([H])(O[H])[C@@]6([H])O[H])[C@@]5([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]1([H])O[H]
TCMBANKIN043169 Cyclo-(Ala-Val)
TCMBANKIN043264 notoginsenoside K C48H82O18 947 C1([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])[C@@]([H])(O[H])[C@]([H])([C@@]([H])([C@@](C([H])([H])[H])(O[C@]2([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2 ([H])O[H])C([H])([H])C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[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[C@]6([H])O[C@]([H])(C([H])([H])O[C@]7([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]7([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]6([H])O[H]
TCMBANKIN043280 notoginsenoside J C42H74O16 835 C1([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])[C@@]([H])(O[H])[C@]([H])([C@@]([H])([C@](O[C@@]2([H])O[C@@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]2([H])O[H])(C([H] )([H])[H])C([H])([H])C([H])([H])[C@]([H])(O[H])C(O[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C3([H])[H])[C@@]34C([H])([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])[C@]5([H])O[C@@]6([H])O[C@]([H])(C([H] )([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]6([H])O[H])[C@@]5([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]1([H])O[H]
TCMBANKIN043364 Evodianinine
TCMBANKIN043469 γ-Elemene O-Menth-8-ene, 4-isopropylidene-1-vinyl-; 1-ethenyl-1-methyl-2-(1-methylethenyl)-4-(1-methylethylidene)-cyclohexane; γ- elemene; γ--elemene; γ-Elernene 204.35
TCMBANKIN043534 Notoginsenoside Fe notoginsenoside fe C47H80O17 917.13 CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)O)C)C)O)C)OC6C(C(C(C(O6)COC7C(C(C(O7)CO)O)O)O)O)O)C
TCMBANKIN043634 notoginsenoside g C48H80O19 961.1 g/mol CC(=CCCC(C)(C1CCC2(C1C(CC3C2(C(C=C4C3(CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)C)O)C)O)C)OC7C(C(C(C(O7)CO)O)O)O)C
TCMBANKIN043658 12alpha-Hydroxyevodol 12alpha-hydroxyevodol; 12α-hydroxyevodol C26H28O10 500.5 g/mol CC1(C2=C(C(=O)C3(C(C24COC(=O)CC4O1)CC(C5(C36C(O6)C(=O)OC5C7=COC=C7)C)O)C)O)C
TCMBANKIN043716 Picein picein; 1-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone; C10720; 1-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxyphenyl]ethanone; 1-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyphenyl]ethanone; 1-(4-(beta-D-Glucopyranosyloxy)phenyl)ethan-1-one; 530-14-3; EINECS 208-473-7; 1-[4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]phenyl]ethanone 298.289
TCMBANKIN043775 cycloeucalenol 4alpha,14-dimethyl-9beta,19-cyclo-5alpha-ergost-24(28)-en-3beta-ol; 9,19-Cycloergost-24(28)-en-3-ol, 4,14-dimethyl-, (3beta,4alpha,5alpha)-; 469-39-6; C02141; AKOS032948711; cycloleucalenol; CHEBI:16653; cycloeucalenol; 3beta,4alpha,5alpha-4,14-dimethyl-9,19-cycloergost-24(28)-en-3-ol C30H50O 427 [C@]1([H])(O[H])[C@@]([H])(C([H])([H])[H])[C@@]2([H])[C@@]3([C@@]4(C3([H])[H])[C@]([H])([C@](C([H])([H])[H])(C([H])([H])C([H])([H])[C@@]5([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C(=C([H])[H])C( [H])(C([H])([H])[H])C([H])([H])[H])[H])[C@]5(C([H])([H])[H])C([H])([H])C4([H])[H])C([H])([H])C2([H])[H])C([H])([H])C1([H])[H]
TCMBANKIN043982 Gravacridoneshlirine gravacridoneshlirine C19H18ClNO4 359.804 c1([H])c([H])c(N(C([H])([H])[H])c(c(C([H])([H])[C@]([H])([C@](C([H])([H])[H])(Cl)C([H])([H])O[H])O2)c2c([H])c3O[H])c3C4=O)c4c([H])c1[H]
TCMBANKIN044254 Notoginsenoside A AC1O52SM; .beta.-D-Glucopyranoside, (3.beta.,12.beta.)-20-[(6-O-.beta.-D-glucopyranosyl-.beta.-D-glucopyranosyl)oxy]-12,25-dihydroxydammar-23-en-3-yl 2-O-.beta.-D-glucopyranosyl-; Notoginsenoside A; 193895-21-5; beta-D-Glucopyranoside, (3beta,12beta)-20-((6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy)-12,25-dihydroxydammar-23-en-3-yl 2-O-beta-D-glucopyranosyl- 1125.3 g/mol
TCMBANKIN044577 notopterol AX8245234; 4-[(2E)-5-hydroxy-3,7-dimethylocta-2,6-dienoxy]furo[3,2-g]chromen-7-one; CHEMBL258939; MFCD23701669; Notopterol; ST24035054; 4CH-024741; AK119818; CHEBI:81136; C17499; MolPort-027-836-284; (E)-4-((5-Hydroxy-3,7-dimethylocta-2,6-dien-1-yl)oxy)-7H-furo[3,2-g]chromen-7-one; 7H-Furo(3,2-g)(1)benzopyran-7-one, 4-((5-hydroxy-3,7-dimethyl-2,6-octadienyl)oxy)-, (E)-; AC1NSZ7R; BG01067911; BDBM50375219; 88206-46-6; 4-{[(2E)-5-HYDROXY-3,7-DIMETHYLOCTA-2,6-DIEN-1-YL]OXY}FURO[3,2-G]CHROMEN-7-ONE; KB-209244; AKOS016010745; 5[(2E)-5-hydroxy-3,7-dimethyl-2,6-octadienyloxy]psoralen C22H24O4 352.424 c12c(oc([H])c1[H])c([H])c3c(C([H])=C([H])C(=O)O3)c2OC([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[C@]([H])(C([H])([H])[H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H]
TCMBANKIN044583 cyclo-(phe-val) C14H18N2O2 246.3 g/mol CC(C)C1C(=O)NC(C(=O)N1)CC2=CC=CC=C2
TCMBANKIN044770 Jangomolide 468.5 g/mol
TCMBANKIN044942 Quercetin-3-L-arabinon-7-D-glucoside Quercetin-3-L-arabinon-7-D-glucoside; Quercetin-3-O-malonyl-beta-D-glucoside; quercetin-3-l-arabinon-7-d-glucoside C26H28O17 464.38 c1([H])c(O[H])c(C(=O)C(O[C@]2([H])O[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]2([H])O[H])=C(c3c([H])c(O[H])c(O[H])c([H])c3[H])O4)c4c([H])c1O[C@]5([H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])( O[H])[C@@]([H])(C([H])([H])O[H])O5
TCMBANKIN045517 Methyl 3,3,6-tri-O-galloyl-beta-D-glucopyranoside methyl 3,3,6-tri-o-galloyl-beta-d-glucopyranoside C28H26O18 650.54 c1(O[H])c(O[H])c([H])c(C(=O)OC([H])([H])[C@@]2([H])O[C@]([H])(OC([H])([H])[H])[C@]([H])(OC(c3c([H])c(O[H])c(O[H])c(O[H])c3[H])=O)[C@@]([H])(OC(c4c([H])c(O[H])c(O[H])c(O[H])c4[H])=O)[C@]2([H])O[H])c([H ])c1O[H]
TCMBANKIN045610 1-Methyl-2-dodecyl-4-(1H)-quinolone 2-dodecyl-1-methylquinolin-4-one; 1-Methyl-2-dodecyl-4(1H)-quinolone; 1-methyl-2-dodecyl-4(1h)-quinolone; AC1NSYC8 C22H33NO 327.504 c1([H])c([H])c(C(=O)C([H])=C(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])[H])N2C([H])([H])[H])c2c([H])c1[H]
TCMBANKIN046177 cyclo-(leu-val) C11H20N2O2 212.29 g/mol CC(C)CC1C(=O)NC(C(=O)N1)C(C)C
TCMBANKIN046440 evodiaxinine C20H15N3O
TCMBANKIN046580 methyl pyroglutamate C6H9NO3 143.141 C1([H])([H])C([H])([H])[C@]([H])(C(OC([H])([H])[H])=O)N([H])C1=O
TCMBANKIN046749 rutaevin Rutaevin; rutaevin ; C08779; 33237-37-5 C26H30O9 487 O1[C@@]([H])(C([H])([H])C(=O)OC2([H])[H])[C@]2([C@@]([H])(C([H])([H])C([H])([H])[C@]3(C([H])([H])[H])[C@@]45[C@]([H])(O4)C(=O)O[C@@]3([H])c6c([H])c([H])oc6[H])[C@@]5(C([H])([H])[H])[C@]([H])(O[H])C7=O )[C@@]7([H])C1(C([H])([H])[H])C([H])([H])[H]
TCMBANKIN046802 notoginsenoside C C55H94O25 1155 C([H])([H])(O[H])[C@@]1([H])O[C@](O[C@@]2([H])C([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])[C@@]([H])(O[H])[C@@]([C@]([C@@](C([H])([H])[H])(O[C@@]3([H])[C@]([H])(O[H])[C@@]([H])(O[ H])[C@]([H])(O[H])[C@@]([H])(C([H])([H])O[C@@]4([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]4([H])O[H])O3)C([H])([H])C([H])([H])[C@]([H])(OO[H])C(C([H])([H])[H])=C([H])[H])([H]) C([H])([H])C5([H])[H])([H])[C@@]56C([H])([H])[H])[C@@]6(C([H])([H])[H])C([H])([H])C7([H])[H])[C@]7([H])C2(C([H])([H])[H])C([H])([H])[H])([H])[C@]([H])(O[C@@](C([H])([H])[H])([C@]([H])(O[H])[C@@]8([H]) O[H])O[C@]([H])(C([H])([H])O[H])[C@@]8([H])O[H])[C@@]([H])(O[H])[C@]1([H])O[H]
TCMBANKIN046962 Rutaevine rutaevine C25H28O9 472.53 C1(=O)OC([H])([H])[C@@]2([C@]([H])(C(C([H])([H])[H])(C([H])([H])[H])O3)C(=O)[C@]([H])(O[H])[C@]4(C([H])([H])[H])[C@]2([H])C([H])([H])C([H])([H])[C@@]5([H])[C@]46[C@]([H])(O6)C(=O)O[C@@]5([H])c7c([H])o c([H])c7[H])[C@@]3([H])C1([H])[H]
TCMBANKIN047056 Cyclo-(Pro-Val) 196.25 g/mol
TCMBANKIN047183 Cyclo-(Leu-Ser)
TCMBANKIN047281 Notoginsenoside L 1079.3 g/mol
TCMBANKIN048156 cyperol CHEMBL2268862; APWLDLGOYJHNIK-YUELXQCFSA-N; C16945; 20084-99-5; DTXSID70555532; (2R,4aS,7R)-1,4a-Dimethyl-7-(prop-1-en-2-yl)-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-ol; 3ALPHA-HYDROXY-CYPERONE; Cyperol; CHEBI:80813 C15H24O 220.35 CC1=C2CC(CCC2(CCC1O)C)C(=C)C
TCMBANKIN048280 Notoginsenoside I 1093.3 g/mol
TCMBANKIN048530 quinquenoside i C52H86O19 1015.2 g/mol CC=CC(=O)OCC1C(C(C(C(O1)OC2C(C(C(OC2OC3CCC4(C(C3(C)C)CCC5(C4CC(C6C5(CCC6C(C)(CCC=C(C)C)OC7C(C(C(C(O7)CO)O)O)O)C)O)C)C)CO)O)O)O)O)O
TCMBANKIN048691 alpha-Guttiferin alpha-guttiferin C27H32O6 452.59 C1(C([H])([H])[H])=C(C([H])([H])[H])c2c(c(C(=O)C(\C(=C(/C([H])([H])C([H])([H])[H])\O[H])\[C@@]([H])(C([H])([H])[H])C([H])([H])C3([H])[H])=C3[H])c(O[H])c(C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H ])[H])c2O[H])OC1=O
TCMBANKIN049105 acetonylevodiamine C22H21N3O2
TCMBANKIN049364 6-o-β-d-glucopyranosyl-5-hydroxyangelicin C17H16O10 C1=CC(=O)OC2=C1C(=C(C3=C2C=CO3)OC4C(C(C(C(O4)CO)O)O)O)O
TCMBANKIN049472 sanchinoside b1 C36H62O9 638.9 g/mol CC(=CCCC(C)(C)O)C1CCC2(C1C(CC3C2(CC(C4C3(CCC(C4(C)C)O)C)OC5C(C(C(C(O5)CO)O)O)O)C)O)C
TCMBANKIN049515 cyclo-(phe-tyr) C18H18N2O3 310.3 g/mol C1=CC=C(C=C1)CC2C(=O)NC(C(=O)N2)CC3=CC=C(C=C3)O
TCMBANKIN049605 1-methyl-2-[(z)-10-pentadecenyl]-4-(1h)-quinolone 1-methyl-2-pentadec-10-enyl-4(1h)-quinolone; AC1O3DPF; 1-methyl-2-pentadec-10-enylquinolin-4-one; 120693-50-7; 1-methyl-2-[(z)-10-pentadecenyl]-4(1h)-quinolone; ACMC-20mp2i; CTK0F8623; 4(1H)-Quinolinone, 1-methyl-2-(10Z)-10-pentadecenyl-; DTXSID00422526 C25H37NO 367.6 g/mol CCCCC=CCCCCCCCCCC1=CC(=O)C2=CC=CC=C2N1C
TCMBANKIN050143 4,4'-Diketo-3-hydroxy-beta-carotene beta,beta-Carotene-4,4/'-dione, 3-hydroxy-; 3-Hydroxycanthaxanthin; beta-Carotene-4,4'-dione, 3-hydroxy-, all-trans-; Phenicoxanthin; 3-Hydroxy-beta,beta-carotene-4,4'-dione; SCHEMBL149807; 4418-72-8; beta,beta-Carotene-4,4'-dione, 3-hydroxy-; 4,4'-diketo-3-hydroxy-β-carotene; 3-Hydroxy-4,4'-diketo-beta-carotene; All-trans-adonirubin; 4,4'-Diketo-3-hydroxy-beta-carotene C40H52O3 580.8 g/mol [C@]1([H])(O[H])C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C(\C([H])=C([H])\C(\C([H])([H])[H])=C([H])/C([H])=C([H])\C(\C([H])([H])[H])=C([H])\C([H])=C([H])\C([H])=C(/C([H])([H])[H])\C([H])=C([H])\C([ H])=C(/C([H])([H])[H])\C([H])=C([H])\C2=C(C([H])([H])[H])C(=O)C([H])([H])C([H])([H])C2(C([H])([H])[H])C([H])([H])[H])=C(C([H])([H])[H])C1=O
TCMBANKIN050180 Isobutyl pyroglutamate
TCMBANKIN050354 1-Methyl-2-(Z)-8-tetradecenyl-4(1H)-quinolone
TCMBANKIN057925 l-α-amino-β-oxalylaminopropionicacid N(3)-(carboxylatoformyl)-L-2,3-diaminopropionate(1-); N3-oxalyl-L-2,3-diaminopropionic acid; (2S)-2-ammonio-3-[(carboxylatocarbonyl)amino]propanoate; beta-N-Oxalyl-L-alpha,beta-diaminopropionate; N-3-oxalyl-L-2,3-diaminopropanoate; (2S)-2-azaniumyl-3-(carboxylatoformamido)propanoate; CHEBI:57758; l-alpha-amino-beta-oxalylaminopropionic acid; N3-Oxalyl-L-2,3-diaminopropanoate; (2S)-2-azaniumyl-3-[(carboxylatocarbonyl)amino]propanoate; L-alpha-Amino-beta-oxalylaminopropionic acid; N(3)-oxalyl-L-2,3-diaminopropanoate C5H7N2O5- 175.12 g/mol C(C(C(=O)[O-])[NH3+])NC(=O)C(=O)[O-]
TCMBANKIN057973 NSC405997 22513-81-1; 1,22-Docosanediol; AIDS-471012; AIDS471012; docosane-1,22-diol;DTXSID00324197; CTK1A7857; AKOS028111015; 1,22-Docosanediol; MCULE-8562052651; AC1L873A; SCHEMBL472790; CHEMBL470773; NSC-405997; HIBKFQRBONXURO-UHFFFAOYSA-N; NSC405997; 1,22-hexadecanediol; docosane-1,22-diol;1,22-docosanediol C22H46O2 342.6 g/mol C(CCCCCCCCCCCO)CCCCCCCCCCO
TCMBANKIN058629 rutacarpine rutaecarpine;rutecarpine C18H13N3O 287.3 g/mol C1CN2C(=NC3=CC=CC=C3C2=O)C4=C1C5=CC=CC=C5N4
TCMBANKIN058630 14-formyldihydro rutaecarpine 14-formyldihydrorutaecarpine C19H15N3O2 317.3 g/mol C1CN2C(C3=C1C4=CC=CC=C4N3)N(C5=CC=CC=C5C2=O)C=O
TCMBANKIN058635 1,2,3,4-tetrahydro-1-oxo-β-carboline 1,2,3,4-tetrahydrol-oxo-beta-carboline C11H10N2O C1CNC(=O)C2=C1C3=CC=CC=C3N2
TCMBANKIN058638 higenamine UNII-6016M93W29; CHEBI:27751; (R)-Norcoclaurine; 6,7-Dihydroxy-(1R)-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline; 6,7-Isoquinolinediol, 1,2,3,4-tetrahydro-1-((4-hydroxyphenyl)methyl)-, (1R)-; (1R)-1-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol; 6016M93W29; SCHEMBL5898913; AX8328517; DTXSID90331552; (+)-HIGENAMINE; UNII-TBV5O16GAP component WZRCQWQRFZITDX-CQSZACIVSA-N; CHEMBL501778; 6,7-Isoquinolinediol, 1,2,3,4-tetrahydro-1-((4-hydroxyphenyl)methyl)-, (R)-; C06347; (R)-(+)-Higenamine; (+)-Demethylcoclaurine; 106032-53-5; BDBM50242856; AC1L9ACA; (1R)-1-(4-hydroxybenzyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol; AK00743742; (R)-1-(4-Hydroxybenzyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol; Higenamine, (+)-; ZINC896041; demethylcoclaurine; demetahyl coclaurine C16H17NO3 271.31 g/mol C1CNC(C2=CC(=C(C=C21)O)O)CC3=CC=C(C=C3)O
TCMBANKIN058661 C08464 2060-59-5; Tridec-1-ene-3,5,7,9,11-pentayne; 1-Tridecene-3,5,7,9,11-pentyne; 1-Tridecen-3,5,7,9,11-pentayne; tridec-1-en-3,5,7,9,11-pentayne; 1-Tridecene-3,5,7,9,11-pentayne;1-tridecene-3,5,7,9,11-pentyne C13H6 162.19 g/mol CC#CC#CC#CC#CC#CC=C
TCMBANKIN058681 1,1-Dimethyl-2-(3-methyl-1,3-butadiene)-cyclo-propane 1,1-dimethyl-2-(3-methyl-1,3-butadiene)-cyclo-propane; 1,1-dimethyl-2(3-methyl-1,3-butadienyl)-cyclopropane C10H16 136.26 CC(=C)C=CC1CC1(C)C
TCMBANKIN058761 (E)ocimene (E)- ocimene; (E)-ocimene;p-Ocimene;3,7-Dimethyl-1,3,6-octatriene;trans-ocimene;trans- beta- Ocimene;ocimene;β-trans-ocimene;3,7-dimethyl-1,3e,6-octatriene;3,7-Dimethylocta-1,3,6-triene; 3,7-Dimethyl-1,3,6-octatriene (natural); beta-trans-Ocimene; EINECS 223-241-5; 74730_FLUKA; 11009-78-2; ST5410145; 3,7-Dimethyl-1,3,6-octatrien; 27400-72-2; FEMA No. 3539; 3,7-DIMETHYL-1,3,6-OCTATRIENE; (E)-3,7-Dimethyloctatriene; 1856-63-9; 11022-64-3; EINECS 237-641-2; BETA-OCIMENE, TRANS; 1,3,6-Octatriene, 3,7-dimethyl-, (E)-; .beta.-trans-Ocimene; 13877-91-3; .beta.-Ocimene; Octatriene, 3,7-dimethyl-, (E)-; beta-Ocimene; trans-beta-Ocimene; 1,3,6-Octatriene, 3,7-dimethyl-; Ocimene, beta-; 3779-61-1; (E)-3,7-Dimethylocta-1,3,6-triene; Ocimene trans-beta-form; (3E)-3,7-dimethylocta-1,3,6-triene; C09873;trans-β-Oci-mene; Trans- β- ocimene; trans-beta-ocimene;EINECS 249-805-0; AC1O5HAL; LS-98065; (3E,5E)-3,7-dimethylocta-1,3,5-triene; 2,6-Dimethyloctane, hexadehydro derivative; 29714-87-2; Dimethyloctatriene (mixed isomer);beta-trans-ocimene;3,7-Dimethylocta-1,3,6-triene; 3,7-Dimethyl-1,3,6-octatriene (natural); beta-trans-Ocimene; EINECS 223-241-5; 74730_FLUKA; 11009-78-2; ST5410145; 3,7-Dimethyl-1,3,6-octatrien; 27400-72-2; FEMA No. 3539; 3,7-DIMETHYL-1,3,6-OCTATRIENE; (E)-3,7-Dimethyloctatriene; 1856-63-9; 11022-64-3; EINECS 237-641-2; BETA-OCIMENE, TRANS; 1,3,6-Octatriene, 3,7-dimethyl-, (E)-; .beta.-trans-Ocimene; 13877-91-3; .beta.-Ocimene; Octatriene, 3,7-dimethyl-, (E)-; beta-Ocimene; trans-beta-Ocimene; 1,3,6-Octatriene, 3,7-dimethyl-; Ocimene, beta-; 3779-61-1; (E)-3,7-Dimethylocta-1,3,6-triene; Ocimene trans-beta-form; (3E)-3,7-dimethylocta-1,3,6-triene; C09873;ci-mene; Trans- β- ocimene; trans-beta-ocimene;EINECS 249-805-0; AC1O5HAL; LS-98065; (3E,5E)-3,7-dimethylocta-1,3,5-triene; 2,6-Dimethyloctane, hexadehydro derivative; 29714-87-2; Dimethyloctatriene (mixed isomer);beta-trans-ocimene C10H16 136.23 g/mol CC(=CCC=C(C)C=C)C
TCMBANKIN058854 protopanaxtriol (3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6,12-triol C30H52O4 476.73 g/mol CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CC(C4C3(CCC(C4(C)C)O)C)O)C)O)C)O)C
TCMBANKIN058858 ginsenoside- Rg1 ginsenoside-rg1;(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-17-[(1S)-1,5-dimethyl-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]hex-4-enyl]-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H; (2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a; (2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-17-[(1S)-1,5-dimethyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-hex-4-enyl]-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclop; (2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-hept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[; C08946; (2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-17-[(1S)-1,5-dimethyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-hex-4-enyl]-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-; 22427-39-0; sanchinoside rg1; Sanchinoside C1 C42H72O14 801.01 g/mol CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CC(C4C3(CCC(C4(C)C)O)C)OC5C(C(C(C(O5)CO)O)O)O)C)O)C)OC6C(C(C(C(O6)CO)O)O)O)C
TCMBANKIN058859 Notoginsenoside R6 notoginsenoside r6 C48H82O19 963.2 g/mol CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CC(C4C3(CCC(C4(C)C)O)C)OC5C(C(C(C(O5)CO)O)O)O)C)O)C)OC6C(C(C(C(O6)COC7C(C(C(C(O7)CO)O)O)O)O)O)O)C
TCMBANKIN058860 ginsenoside rf 2α,3β,12β,20(s)-3-hydroxydammar-24-en-20-o-β-d-glucopyranoside; (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-17-[(2S)-2-hydroxy-6-methyl-hept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-; C08945; (2S,3R,4S,5S,6R)-2-[[(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-17-[(1S)-1-hydroxy-1,5-dimethylhex-4-enyl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-; ginsenoside r f; ginsenoside-rf; Ginsenoside Rf; (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-17-[(1S)-1-hydroxy-1,5-dimethyl-hex-4-enyl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-; ginsenosiderf; 52286-58-5; (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-6 C42H72O14 801.01 CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CC(C4C3(CCC(C4(C)C)O)C)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)C)O)C)O)C
TCMBANKIN058861 ginsenoside rd;20-glucosylginsenosiderf;20-glucosylginsenosiderf ginsenoside-rd; ginsenosiderd; A829210; 2-(hydroxymethyl)-6-[6-(hydroxymethyl)-2-[[17-[2-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-methyl-hept-5-en-2-yl]-4,4,8,10,14-pentamethyl-3,12-bis(oxidanyl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-b; 2-[[2-[[3,12-dihydroxy-4,4,8,10,14-pentamethyl-17-[6-methyl-2-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]hept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)-3-oxanyl]oxy]-6;(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(6S,14R)-3,12-dihydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol; 20-glucosylginsenoside rf; AC1O3DDF;;20-glucosylginsenosiderf;20-glucosylginsenosiderf C48H82O18 947.15 CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CC(C4C3(CCC(C4(C)C)O)C)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)C)O)C)OC7C(C(C(C(O7)CO)O)O)O)C
TCMBANKIN058863 20-o-β-d-xylopyranosyl(1→6)-β-d-gluco-pyranosyl-20(s)-protopanaxadiol CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)O)C)C)O)C)OC5C(C(C(C(O5)COC6C(C(C(CO6)O)O)O)O)O)O)C
TCMBANKIN058865 ginsenoside-F2 ginsenoside- F2; ginsenoside f2 C42H72O13 785.01 CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)O)C)C)O)C)OC6C(C(C(C(O6)CO)O)O)O)C
TCMBANKIN058867 ginsenoside rb1 Q-100470; A-D-glucopyranosyl)oxy]-12-hydroxydammar-24-en-3-yl ; GRb 1; MFCD00133367; ginsenosiderb1; Ginsenoside-Rb1 from Panax ginseng (Korean ginseng) root, triterpenoid saponin; beta-D-Glucopyranoside, (3-beta,12-beta)-20-((6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy)-12-hydroxydammar-24-en-3-yl 2-O-beta-D-glucopyranosyl-; N1620; NSC 310103; CHEBI:67989; Ginsenoside Rb1, primary pharmaceutical reference standard; C20713; Panax saponin E; 7413S0WMH6; Pseudoginsenoside D; 87700-07-0; A-Glucopyranosyl-(3; C54H92O23; A)-20-[(6-O-; 2-O-beta-Glucopyranosyl-(3beta,12beta)-20-((6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy)-12-hydroxydammar-24-en-3-yl-beta-D-glucopyranoside; Ginsenoside Rb1, European Pharmacopoeia (EP) Reference Standard; (3beta,12beta)-20-{[6-O-(beta-D-glucopyranosyl)-beta-D-glucopyranosyl]oxy}-12-hydroxydammar-24-en-3-yl 2-O-beta-D-glucopyranosyl-beta-D-glucopyranoside; 20(S)-ginsenoside Rb1; 2-O-; Ginsenoside Rb1 (saponin of panax ginseng); 52286-61-0; 12770-17-1; 393829-67-9; CS-3829; BIDD:ER0108; A,12; 2-O-beta-Glucopyranosyl-(3beta,12beta)-20-[(6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-12-hydroxydammar-24-en-3-yl beta-D-glucopyranoside; GZYPWOGIYAIIPV-JBDTYSNRSA-N; Ginsenoside-Rb1 from Panax ginseng (Korean ginseng) root; GS-Rb1; 41753-43-9; ginsenoside-rb1; ginsenoside r b1; 212055-66-8; UNII-7413S0WMH6; AB0016710; AKOS025311537; A-D-glucopyranoside; Ginsenoside rb1; MolPort-016-638-397; gensenoside Rb1; Gypenoside III; ginsenoside Rb1; CHEMBL501515; HY-N0039; Gynosaponin C; BDBM50317541; (3beta,12beta)-20-[(6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-12-hydroxydammar-24-en-3-yl 2-O-beta-D-glucopyranosyl-beta-D-glucopyranoside; Ambap41753-43-9; GSRb1; Ginsenoside-Rb1; 753G439; Sanchinoside E1; A-D-glucopyranosyl-; Panaxsaponin E; O899; ginsenoside-Rb1;gypenosideIII C54H92O23 1109.3 g/mol CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)C)C)O)C)OC7C(C(C(C(O7)COC8C(C(C(C(O8)CO)O)O)O)O)O)O)C
TCMBANKIN058869 ginsenoside Rb3 ginsenoside rb3; ginsenoside r b3; gensenoside- Rb3; ginsenoside- Rb3; gensenoside Rb3; ginsenosiderb3; ginsenoside-rb3 C53H90O22 1079.3 g/mol CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)C)C)O)C)OC7C(C(C(C(O7)COC8C(C(C(CO8)O)O)O)O)O)O)C
TCMBANKIN058880 dammarenediol II dammar-24-ene-3β,20-diol i;dammarane type;ginsenoside;74749-74-9; UNII-3K198YD54P; LS-71251; (3S,5R,8R,9R,10R,14R,17S)-17-(2-hydroxy-6-methylhept-5-en-2-yl)-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol; 3K198YD54P; Ginsenosides; AC1MJ5EP C30H52O2 444.73 CC(=CCCC(C)(C1CCC2(C1CCC3C2(CCC4C3(CCC(C4(C)C)O)C)C)C)O)C
TCMBANKIN058928 1-(5,7,8-trimethoxy-2,2-dimethylchromen-6-yl)ethanone 1-(5,7,8-trimethoxy-2,2-dimethyl-chromen-6-yl)ethanone; 1-(5,7,8-trimethoxy-2,2-dimethyl-6-chromenyl)ethanone; Ethanone, 1-(5,7,8-trimethoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-; Ketone, methyl 5,7,8-trimethoxy-2,2-dimethyl-2H-1-benzopyran-6-yl C16H20O5;C26H30O9 292.33 g/mol CC(=O)C1=C(C2=C(C(=C1OC)OC)OC(C=C2)(C)C)OC
TCMBANKIN058934 p-hydroxyacetophenone p-hydroxy-acetophenone; 4'-hydroxyacetophenone; 4-hydroxyacetophenone; Piceol; para-hydroxy-acetophenone; 4&#8242; -Hydroxyacetophenone; c0694; Acetophenone,4'-hydroxy-; C10700; (4-Hydroxyphenyl)ethan-1-one; Ethanone,1-(4-hydroxyphenyl)-; Phenol,p-acetyl-; AB-131/40179700; 99-93-4; p-Hydroxyphenyl methyl ketone; Acetophenone,p-hydroxy-; 4-Hydroksyacetofenol [Polish]; NSC 3698; 1-(4-Hydroxyphenyl)ethanone; AI3-12133; Usaf kf-15; NSC3698; EINECS 202-802-8; p-Oxyacetophenone; WLN: QR DV1; 54180_FLUKA; p-Hydroxyacetophenone; InChI=1/C8H8O2/c1-6(9)7-2-4-8(10)5-3-7/h2-5,10H,1H; 4'-Hydroxyacetophenone; AIDS026793; 1-(4-Hydroxy-phenyl)-ethanone; HYDROXYACETOPHENONE,PARA; 4-Acetylphenol; p-Hydroxacetophenone; ST5213412; Acetophenone,4'-hydroxy- (8CI); 278564_ALDRICH; p-Acetylphenol; AIDS-026793; 4-Hydroxyacetophenone; Methyl-p-hydroxyphenyl ketone; ZINC00330136; Methyl p-hydroxyphenyl ketone; 4-hydroxy-acetophenone C8H8O2 136.15 g/mol CC(=O)C1=CC=C(C=C1)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
TCMBANKIN058985 rutaevin acetate;Rutaevine acetate rutaevine acetate 528.6 CC(=O)OC1C(=O)C2C(OC3C2(COC(=O)C3)C4C1(C56C(O5)C(=O)OC(C6(CC4)C)C7=COC=C7)C)(C)C
TCMBANKIN059091 ditertbutyl phthalate Di-(terc-butilperoxi)ftalato; 30448-43-2; SCHEMBL109178; DTXSID10184527; EINECS 250-204-0; benzene-1,2-dicarboxylic acid ditert-butyl ester; Diperoxyphtalate de tert-butyle; 1,2-Benzenedicarboxylicacid, 1,2-bis(1,1-dimethylethyl) ester; AC1L3T9P; ditertbutyl phthalate; AKOS030616148; CTK4G5219; AK661164; Phthalic acid ditert-butyl ester; Peroxyphthalic acid, di-tert-butyl ester (8CI); Di-(tert-butylperoxy) phthalate, >55% in solution; AC1Q5XKL; ditert-butyl benzene-1,2-dicarboxylate; ZINC5353715; Di-tert-butyl phthalate; ACM30448432; 1,2-DI-TERT-BUTYL PHTHALATE; 134115-67-6 C16H22O4 278.34 CC(C)(C)OC(=O)C1=CC=CC=C1C(=O)OC(C)(C)C
TCMBANKIN059097 1-Hydroxycumene alpha,alpha-Dimethylbenzyl alcohol; 2-Phenyl-2-propanol; P30802_ALDRICH; alpha,alpha-Dimethylbenzenemethanol; 617-94-7; .alpha.-Cumyl alcohol; EINECS 210-539-5; alpha,alpha-Dimethylbenzene methanol; 2-Propanol, 2-phenyl-; Phenyldimethylcarbinol; NSC1261; Dimethyl phenyl carbinol; 2-PHENYLISOPROPANOL; Benzyl alcohol, .alpha.,.alpha.-dimethyl-; Dimethylphenylmethanol; BRN 1905012; NSC 1261; NSC212537; Benzenemethanol, .alpha.,.alpha.-dimethyl-; NSC 212537; 4-06-00-03219 (Beilstein Handbook Reference); 2-Phenylpropan-2-ol; HSDB 5718; InChI=1/C9H12O/c1-9(2,10)8-6-4-3-5-7-8/h3-7,10H,1-2H; .alpha.,.alpha.-Dimethylbenzyl alcohol; Benzyl alcohol, alpha,alpha-dimethyl-; Benzenemethanol, alpha,alpha-dimethyl-; alpha-Cumyl alcohol; 78940_FLUKA; Dimethylphenylcarbinol; AI3-05532; ZINC01591819;α,α-dimethylbenzene methanol;2-phenyl-2-propanol;alpha-dimethylbenzene methanol C9H12O 136.19 CC(C)(C1=CC=CC=C1)O
TCMBANKIN059175 delta-elemene delta-Elemene; g-elemene; cyclohexene,4-ethenyl-4-methyl-3-[1-methylethenyl]-1-[1-methylethyl]-; δ- elemene C15H24 204.35 CC(C)C1=CC(C(CC1)(C)C=C)C(=C)C
TCMBANKIN059181 1-methylethylbenzene NaPst;Gedex; Benzene, isopropyl; BENZENE,ISOPROPYL CUMOL; 105270-05-1; 686E; 51609-83-7; Esbrite G 10; Estyrene G-P 4; 61584-90-5; NBS 706; Benzene, (1-methylethyl)-; Estyrene H 61; Dow 860; 11120-46-0; AI3-04630; Afcolene; Copal Z; Krasten 052; Piccolastic A 50; Benzene, (1-methylethyl)-, oxidized, polyphenyl residues; 81834-12-0; Bicolene H; LS 1028E; Carinex GP; MX 4500; Dylite F 40L; 52932-49-7; Bio-Beads S-S 2; 12627-11-1; RCRA waste number U055; Esbrite 2; Estyrene G 15; S 173; (1-Methylethyl)benzene; Propane, 2-phenyl-; Diarex HT 88A; A 3-80; Benzene, ethenyl-, homopolymer; Koplen 2; Bustren; Dow 456; Cosden 550; Dow MX 5514; Carinex tgx/MF; R 3612; NCGC00091155-01; Krasten 1.4; Benzene, (1-methylethyl)-, oxidized, sulfurized by-products; Afcolene 666; 2-Fenilpropano [Italian]; Piccolastic C 125; K 525; HF 77; R 3; 51609-87-1; Dow MX 5516; Esbrite 8; Dylene 9; 475U; Piccolastic A; Diarex HT 88; 68333-89-1; 9055-91-8; Edistir RB; N 4000V; 53112-49-5; Piccolastic; 550P (styrene polymer); Isopropilbenzene [Italian]; 61584-89-2; Afcolene 492; Bustren K 500; Isopropylbenzene; HT-F 76; Piccolastic D-100; Dorvon; BASF III; Isopropylbenzeen; Dorvon FR 100; Dylite F 40; 36698_RIEDEL; Foster grant 834; Dow 1683; HF 55; 54596-41-7; Denka QP3; Piccolastic A 5; 28220_FLUKA; Diarex HT 90; 172641-48-4; HT 88; 2-Fenyl-propaan; 117079-77-3; Piccolastic D; Bicolastic A 75; EINECS 269-798-8; FC-MY 5450; Esbrite LBL; Isopropilbenzene; Lustrex HH 101; Estyrene G 20; Polystyrene resin; Lustrex H 77; C87657_ALDRICH; HHI 11; Pelaspan Esp 109s; Atactic polystyrene; Cumeen [Dutch]; 60328-46-3; C14396; 666U; Diarex HF 55; Latex; Isopropylbenzene [UN1918] [Flammable liquid]; Sulfurized by-product of cumene oxidation; Bustren K 525-19; 55128-06-8; Diarex 43G; Bakelite SMD 3500; Benzene, isopropyl-; Isopropylbenzol; InChI=1/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H; MX 5517-02; Piccolastic A 25; FG 834; Lustrex HT 88; 68411-37-0; Hostyren N 4000V; Phenol bottoms; Hostyren S; IT 40; CHEBI:34656; Bextrene XL 750; 28230_FLUKA; 98444-30-5; 168N15; BSB-S 40; HSDB 172; Carinex SB 59; Esbrite 500HM; 56451-72-0; Esbrite; Diarex HT 500; 454H; 120037-99-2; Estyrene 500SH; HF 10; Diarex HT 190; MX 5516; NSC8776; NSC 8776; 86090-91-7; ST5214393; Pelaspan 333; Lacqren 506; Ethenylbenzene homopolymer; 2-Fenilpropano; Piccolastic A 75; 68553-94-6; Krasten SB; Bustren Y 825; 98-82-8; Esbrite 4-62; BDH 29-790; BSB-S-E; MX 5514; Esbrite 4; Cadco 0115; 53986-84-8; KR 2537; HH 102; X 600; Cumeen; Carinex SL 273; Hostyren N 4000; 172867-64-0; WLN: 1Y1 & R; Dow 665; Isopropylbenzen; 57657-06-4; KB (Polymer); KM (Polymer); Hostyren N; Esbrite G-P 2; Lustrex; Estyrene 4-62; Benzene, 1-methylethyl-; RCRA waste no. U055; Isopropyl-benzol; 58033-91-3; Carinex HR; 39470-87-6; 2-Fenyl-propaan [Dutch]; BP-Klp; Adion H; Lacqren 550; 2-Phenylpropane; Dylark 250; EINECS 270-120-8; Styrofoam; Diarex YH 476; Bustren U 825; 825TV; Afcolene S 100; HI-Styrol; 144637-93-4; Cosden 945E; Dylene; HT 91-1; Bactolatex; 56748-62-0; Dylene 8G; 31N (styrene polymer); Dylene 8; Propane, 2-phenyl; Ethenylbenzene, homopolymer; Isopropylbenzeen [Dutch]; A 75 (vinyl polymer); Styrene polymer; A 180 (vinyl polymer); 60120-16-3; UN1918; CUMENE; (propan-2-yl)benzene; Bustren Y 3532; Lustrex HP 77; Dow 360; 63849-49-0; Polyphenyl residue; Isopropyl-benzol [German]; Carinex SB 61; Hostyren N 7001; Bustren U 825E11; EINECS 202-704-5; LS 061A; Diarex HF 55-247; Escorez 7404; Cumol; 60880-98-0; 40494-15-3; Diarex HS 77; 9044-64-8; U625; Carinex HRM; Owispol GF; HT 88A; 55465-00-4;cumene C9H12 120.19 g/mol CC(C)C1=CC=CC=C1
TCMBANKIN059253 Hexahydro-farnesyl acetone hexahydro-farnesylacetone; 6,10,14-trimethyl-2-pentadecanone; 6, 10, 14-trimethyl-2-pentadecanone; (6S,10S)-6,10,14-trimethylpentadecan-2-one; 2-pentadecanone,6,10,14-trimethyl-; phytone; 6,10,14-TRIMETHYL-2-PENTADECANONE; hexahydro-farnesyl-acetone; 6,10,14-trimethyl-pentadecan-2-one; C-25231; MFCD00065420; ST049442; 13955-74-3; 2-pentadecanone, 6,10,14-trimethyl; 502-69-2; MCULE-5164481361; AC1Q5H6P; PHYTONE; 6,10,14-Trimethylpentadeca-2-one; 6,10,14-trimethyl pentadecan-2-one; STK761211; OR13502; AN-21434; CTK4J2356; MolPort-001-758-493; (R,R)-Phytone; ZX-AT021772; 2-Pentadecanone,6,10,14-trimethyl-; Hexahydrofarnesyl acetone; 6,10,14-trimethyl-2-pentadecanon; Fitone; AKOS016347358; Hexahydrofarnezylacetone; SBB012620; ZERO/001268; CC-29299; Hexahydrofarnesylacetone; 36116P; 2-Pentadecanone, 6,10,14-trimethyl-; 6,10,14-trimethyl-pentadecane-2-one; W-109084; SCHEMBL716506; Phytol ketone; AKOS001727037; SR-01000526355-1; FT-0632240; SR-01000526355; KB-85744; 6,10,14-Trimethylpentadecan-2-one; hexahydrofarnesylacetone; WHWDWIHXSPCOKZ-UHFFFAOYSA-N; EINECS 207-950-7; AC1L1V4Z; hexahydrofarnesylacetone; 6,10,14-trimethyl-2-pentadecanone; 6,10,14-trimethyl-2-Pentadeeanone; hexahydrofarnesyl acetone; 6,10,14-Trimethylpentadecan-2-one; 2-Pentadecanone, 6,10,14-trimethy-; 6, 10, 14- trimethyl- 2- pentadecanone; (6R,10R)-6,10,14-trimethylpentadecan-2-one; ZINC02169908; 6,10,14-trimethylpentadecan-2-one; 2-pentadecanone,6,10,14-trimethyl; Phytone; hexahydrofarnesyl acetone; perhydrofarnesyl acetone; FITONE C18H36O 268.5 g/mol CC(C)CCCC(C)CCCC(C)CCCC(=O)C
TCMBANKIN059259 13-methyl tetradecanoicacid 13-methyl tetradecanoic acid;13-Methylmyristate C15H30O2 242.4 g/mol CC(C)CCCCCCCCCCCC(=O)O
TCMBANKIN059260 METHYL ISOPALMITATE Pentadecanoic acid, 14-methyl-, methyl ester; 14-methylpentadecanoic acid methyl ester; Methyl 14-methylpentadecanoate; 5129-60-2 C17H34O2 270.5 g/mol CC(C)CCCCCCCCCCCCC(=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
TCMBANKIN059459 Rutalinidine C15H17NO4 275.3 g/mol CC1(C(CC2=C(O1)N(C3=C(C2=O)C=C(C=C3)O)C)O)C
TCMBANKIN059496 evodol C26H28O9 484.5 CC1(C2=C(C(=O)C3(C(C24COC(=O)CC4O1)CCC5(C36C(O6)C(=O)OC5C7=COC=C7)C)C)O)C
TCMBANKIN059500 glaucin a C26H30O10 CC1(C2C(=O)C(C3(C(C24COC(=O)CC4O1)CC(C5(C36C(O6)C(=O)OC5C7=COC=C7)C)O)C)O)C
TCMBANKIN059504 12α-hydroxylimonin C26H30O9 CC1(C2CC(=O)C3(C(C24COC(=O)CC4O1)CC(C5(C36C(O6)C(=O)OC5C7=COC=C7)C)O)C)C
TCMBANKIN059505 evodin C26H30O8 470.5 g/mol CC1(C2CC(=O)C3(C(C24COC(=O)CC4O1)CCC5(C36C(O6)C(=O)OC5C7=COC=C7)C)C)C
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
TCMBANKIN059545 notoginsenoside a C54H92O24 1125.3 g/mol CC1(C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)CO)O)O)O)C)CC(C6C3(CCC6C(C)(CC=CC(C)(C)O)OC7C(C(C(C(O7)COC8C(C(C(C(O8)CO)O)O)O)O)O)O)C)O)C)C
TCMBANKIN059644 sandaracopimarinol C20H32O 288.5 g/mol CC1(CCC2C(=C1)CCC3C2(CCCC3(C)CO)C)C=C
TCMBANKIN059651 NSC 308879 C30H52O3 460.73 CC1(CCCC(O1)(C)C2CCC3(C2C(CC4C3(CCC5C4(CCC(C5(C)C)O)C)C)O)C)C
TCMBANKIN059827 phenol,2,6-bis(1,1-dimethylethyl)-4-methyl C15H24O 220.35 g/mol CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
TCMBANKIN059910 alpha-Cuparenol C15H22O 218.33 CC1=CC=C(C=C1)C2(CCC(C2(C)C)O)C
TCMBANKIN059911 cuparene C15H22 202.33 g/mol CC1=CC=C(C=C1)C2(CCCC2(C)C)C
TCMBANKIN059942 Tectochinon C15H10O2 222.24 g/mol CC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O
TCMBANKIN059950 Cadalin C15H18 198.3 CC1=CC2=C(C=CC(=C2C=C1)C)C(C)C
TCMBANKIN059962 cadinen;α-Cadinene;1,2,4a,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)naphthalene;1,2,4A,5,6,8A-hexahydro--4,7-dimethyl-(1-methylethyl)-naphthalene;muurolene;1,2,4a,5,6,8a- hexhydro- 4,7- dimethyl- 1-(1- methylethyl)-(1alpha 4a． alpha．,8a alpha． )- naphthalene;alpha cadinene;α-muurolene C15H24 204.35 g/mol CC1=CC2C(CC1)C(=CCC2C(C)C)C
TCMBANKIN059966 huperzine b C16H20N2O 256.34 g/mol CC1=CC2CC3=C(C=CC(=O)N3)C4(C1)C2CCCN4
TCMBANKIN059982 d-limonene C10H16 136.23 g/mol CC1=CCC(CC1)C(=C)C
TCMBANKIN060009 copaene; (-)-Alpha-Copaene; α-copaene C15H24 204.35 g/mol CC1=CCC2C3C1C2(CCC3C(C)C)C
TCMBANKIN060014 Germacrene D C15H24 204.35 g/mol CC1=CCCC(=C)C=CC(CC1)C(C)C
TCMBANKIN060183 ginsenoside- Re C48H82O18 947.15 CC1C(C(C(C(O1)OC2C(C(C(OC2OC3CC4(C(CC(C5C4(CCC5C(C)(CCC=C(C)C)OC6C(C(C(C(O6)CO)O)O)O)C)O)C7(C3C(C(CC7)O)(C)C)C)C)CO)O)O)O)O)O
TCMBANKIN060264 rutin C27H30O16 610.5 g/mol CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O
TCMBANKIN060561 delta-guaiene C15H24 204.35 g/mol CC1CCC2=C(CCC(CC12)C(=C)C)C
TCMBANKIN060571 (-)-trifara-9,14-diene C15H24 204.35 g/mol CC1CCC2C(=C)C1(CCC2(C)C=C)C
TCMBANKIN060575 alpha-gurjunene C15H24 204.35 g/mol CC1CCC2C(C2(C)C)C3=C(CCC13)C
TCMBANKIN060652 cyclo-(ile-val); 3-isopropyl-6-isobutyl-2,5-dioxopiperazine C11H20N2O2 212.29 g/mol CCC(C)C1C(=O)NC(C(=O)N1)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
TCMBANKIN060698 2-methyl-2pentenal C6H10O 98.14 g/mol CCC=C(C)C=O
TCMBANKIN060708 9,12,15-Octadecatrien-1-ol,(Z,Z,Z) C18H32O 264.45 g/mol CCC=CCC=CCC=CCCCCCCCCO
TCMBANKIN060774 (-)2d,4d,6d,8d-tetramethyl undecanoic acid C15H30O2 242.4 g/mol CCCC(C)CC(C)CC(C)CC(C)C(=O)O
TCMBANKIN060790 leaf aldehyde C6H10O 98.14 g/mol CCCC=CC=O
TCMBANKIN060820 1-methyl-2-[(z)-6-undecenyl]-4(1h)-quinolone C21H29NO 311.5 g/mol CCCCC=CCCCCCC1=CC(=O)C2=CC=CC=C2N1C
TCMBANKIN060827 Valeraldehyde C5H10O 86.13g/mol CCCCC=O
TCMBANKIN060873 arachidonic acid C20H32O2 304.5 g/mol CCCCCC=CCC=CCC=CCC=CCCCC(=O)O
TCMBANKIN060876 5,8-tetradecadienoic acid C14H24O2 224.34g/mol CCCCCC=CCC=CCCCC(=O)O
TCMBANKIN060877 1-methyl-2-[(4z,7z)-4,7-tridecadienyl]-4(1h)-quinolone C23H31NO 337.5 g/mol CCCCCC=CCC=CCCCC1=CC(=O)C2=CC=CC=C2N1C
TCMBANKIN060878 1-methyl-2-[(6z,9z)-6,9-pentadeca-dienyl]-4(1h)-quinolone C25H35NO 365.6 g/mol CCCCCC=CCC=CCCCCCC1=CC(=O)C2=CC=CC=C2N1C
TCMBANKIN060881 linoleic acid ethyl ester C20H36O2 308.5 g/mol CCCCCC=CCC=CCCCCCCCC(=O)OCC
TCMBANKIN060886 1-methyl-2-[(z)-7-tridecenyl]-4(1h)-quinolone C23H33NO 339.5 g/mol CCCCCC=CCCCCCCC1=CC(=O)C2=CC=CC=C2N1C
TCMBANKIN060888 caproaldehyde C6H12O 100.16 g/mol CCCCCC=O
TCMBANKIN060897 enanthic acid C7H13O2- 129.18 g/mol CCCCCCC(=O)[O-]
TCMBANKIN060910 cis-9-hexadecenoic acid C16H30O2 254.41 g/mol CCCCCCC=CCCCCCCCC(=O)O
TCMBANKIN060918 WLN: VH6 C7H14O 114.19 CCCCCCC=O
TCMBANKIN060935 panaxynol C17H24O 244.37 CCCCCCCC=CCC#CC#CC(C=C)O
TCMBANKIN060944 nonanoic acid C9H18O2 158.24 g/mol CCCCCCCCC(=O)O
TCMBANKIN060958 oleic acid;cis-oleic acid;oleinic acid C18H34O2 282.46 CCCCCCCCC=CCCCCCCCC(=O)O
TCMBANKIN060995 1-methyl-2-nonacosyl-4-quinolone C19H27NO 285.4 g/mol CCCCCCCCCC1=CC(=O)C2=CC=CC=C2N1C
TCMBANKIN061006 lauric acid C12H24O2 200.32 CCCCCCCCCCCC(=O)O
TCMBANKIN061011 1-tridecene; Tridecylene; tridecene C13H26 182.35 CCCCCCCCCCCC=C
TCMBANKIN061015 1-methyl-2-undecyl-4-quinolone C21H31NO 313.5 g/mol CCCCCCCCCCCC1=CC(=O)C2=CC=CC=C2N1C
TCMBANKIN061024 tetradecane C14H28 196.39 g/mol CCCCCCCCCCCCC=C
TCMBANKIN061029 myristic acid C14H28O2 228.37 CCCCCCCCCCCCCC(=O)O
TCMBANKIN061036 methyl pentadecanoate C16H32O2 256.42 CCCCCCCCCCCCCC(C)C(=O)O
TCMBANKIN061042 2-tridecyl-1-methyl-4(1h)-quinolone CCCCCCCCCCCCCC1=CC(=O)C2=CC=CC=C2N1C
TCMBANKIN061043 MYS C15H32 212.41 CCCCCCCCCCCCCCC
TCMBANKIN061044 Pentadecanoate C15H29O2- 241.39 g/mol CCCCCCCCCCCCCCC(=O)[O-]
TCMBANKIN061058 n-hexadecane C16H34 226.44 g/mol CCCCCCCCCCCCCCCC
TCMBANKIN061071 Ethylpalmitate C18H36O2 284.5 g/mol CCCCCCCCCCCCCCCC(=O)OCC
TCMBANKIN061084 1-methyl-2-pentadecyl-4-quinolone C25H39NO 369.6 g/mol CCCCCCCCCCCCCCCC1=CC(=O)C2=CC=CC=C2N1C
TCMBANKIN061085 n-heptadecane;heptadecane;Heptadekan C17H36 240.5 g/mol CCCCCCCCCCCCCCCCC
TCMBANKIN061090 n-octadecane;Oktadekan;octadecane C18H38 254.49g/mol CCCCCCCCCCCCCCCCCC
TCMBANKIN061091 stearic acid CH3(CH2)16COOH 284.5 g/mol CCCCCCCCCCCCCCCCCC(=O)O
TCMBANKIN061100 nonadecane C19H40 268.5 g/mol CCCCCCCCCCCCCCCCCCC
TCMBANKIN061101 Nonadecylic acid C19H38O2 298.5 g/mol CCCCCCCCCCCCCCCCCCC(=O)O
TCMBANKIN061102 LFA C20H42 282.55 g/mol CCCCCCCCCCCCCCCCCCCC
TCMBANKIN061111 heneicosane C21H44 296.57 CCCCCCCCCCCCCCCCCCCCC
TCMBANKIN061112 heneicosanoicacid C21H42O2 326.6 g/mol CCCCCCCCCCCCCCCCCCCCC(=O)O
TCMBANKIN061116 n-docosane;TWT;docosane C22H46 310.6 g/mol CCCCCCCCCCCCCCCCCCCCCC
TCMBANKIN061141 n-hentriacontane C31H64 436.8 g/mol CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
TCMBANKIN061170 heptadecanol C17H36O 256.47 CCCCCCCCCCCCCCCCCO
TCMBANKIN061174 Tetradecanol C14H30O 214.39 g/mol CCCCCCCCCCCCCCO
TCMBANKIN061212 n-butyl pyroglutamate C9H15NO3 CCCCOC(=O)C1CCC(=O)N1
TCMBANKIN061261 ethyl pyroglutamate C7H11NO3 157.17 g/mol CCOC(=O)C1CCC(=O)N1
TCMBANKIN061290 MeODMT;n,n-dimethyl-5-methoxy tryptamine C13H18N2O 218.29 CN(C)CCC1=CNC2=C1C=C(C=C2)OC
TCMBANKIN061298 GoshuyuamideII C19H17N3O2 319.39 CN1C2=CC=CC=C2C(=O)N(C1=O)CCC3=CNC4=CC=CC=C43
TCMBANKIN061377 Goshuyuamide I AC1NSW2R; (2-methylaminophenyl)-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone; [2-(methylamino)phenyl]-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone; (2-methylaminophenyl)-(1,3,4,9-tetrahydro-$b-carbolin-2-yl)methanone; goshuyuamide i C19H19N3O 305.41 CNC1=CC=CC=C1C(=O)N2CCC3=C(C2)NC4=CC=CC=C34
TCMBANKIN061378 n-(2-methulaminobenzoyl)tryfamine N-(2-Methylaminobenzoyl)tryptamine; N-[2-(1H-indol-3-yl)ethyl]-2-methylamino-benzamide; N-[2-(1H-indol-3-yl)ethyl]-2-methylaminobenzamide; n-(2-methylaminobenzoyl)tryptamine; N-[2-(1H-indol-3-yl)ethyl]-2-(methylamino)benzamide; AC1NSY7J 293.4 CNC1=CC=CC=C1C(=O)NCCC2=CNC3=CC=CC=C32
TCMBANKIN061384 synephrine M-2845;oxedrine C9H13NO2 167.2 g/mol CNCC(C1=CC=C(C=C1)O)O
TCMBANKIN061474 3, 4-dimethoxybenzaldehyde DSSTox_CID_6285; Verapamil Impurity G; 4,3-dimethoxybenzaldehyde; D0507; RTC-010113; BBL010373; SBB040236; AH-034/32845024; F2190-0618; Benzaldehyde, 3,4-dimethoxy-; 3,4-dimethoxybenzaldehyde (veratraldehyde); FT-0600118; FEMA 3109; AC1Q4FDU; LS-628; BC622797; Veratrumaldehyde; 107052-EP2374783A1; BR-46721; 3,4-DIMETHOXYBENZALDEHHYDE; ACN-051072; NCGC00091642-02; Vanillin methyl ether; 3,4-Dimethoxybenzenecarbonal; AM20050100; Protocatechuecaldehyde dimethyl ether; ST45169641; 3,4-Dimethoxybenzaldehyde, 99%; VERATRALDEHYDE; p-Veratric aldehyde; AB1000043; TIMTEC-BB SBB040236; DSSTox_GSID_26285; Protocatechuic aldehyde dimethyl ether; CCRIS 6285; ACT06905; LABOTEST-BB LT00235863; I01-2283; Protocatechualdehyde dimethyl ether; OTAVA-BB 1180632; VERATRYLALDEHYDE; CTK0H5284; PubChem8238; KB-28345; InChI=1/C9H10O3/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-6H,1-2H; 107052-EP2295423A1; ANW-17460; ZB006061; NSC-8500; AC1Q46T0; WLN: VHR CO1 DO1; DTXSID7026285; AS-11996; Veratrum aldehyde; 3,4-Dimethoxy benzaldehyde; CHEMBL1088937; MFCD00003363; Tox21_201566; STK188425; 4CN-0811; TL806334; DSSTox_RID_78087; 3,4-dimethoxybenzaldeyde; NCGC00257217-01; Benzaldehyde, 3,4-dimethoxy-veratraldehyde; 3,4-Dimethoxybenzaldehyde (Verapamil Related Compound E - USP), Pharmaceutical Secondary Standard; Certified Reference Material; KSC175E8J; BB_NC-2052; Vanillin methyl ether; Veratraldehyde; AC1L1QYK; NSC 24521; 3,4dimethoxybenzaldehyde; NSC24521; NCGC00259115-01; AKOS000118989; Benzaldehyde,4-dimethoxy-; 4-O-Methylvanillin; AI3-08099; Veratric aldehyde; 3,4-dimethoxybenzaidehyde; 107052-EP2377841A1; CM13990; RP22905; UI88P68JZD; AKOS BBS-00003208; SCHEMBL25202; TC-010113; bmse010220; LABOTEST-BB LT03331050; MolPort-000-871-214; WJUFSDZVCOTFON-UHFFFAOYSA-N; Methylvanillin; AS02987; NSC8500; ST2410267; UNII-UI88P68JZD; BRN 0473899; 107052-EP2298744A2; AN-22815; KS-00000AZ9; MCULE-1202068347; 120-14-9; NE10275; NSC-24521; TRA0003531; 4,5-dimethoxybenzaldehyde; AC-10201; 3,4-DIMETHOXY-BENZALDEHYDE; C02201; CAS-120-14-9; DB-014213; 3,4-Dimethoxybenzaldehyde; CHEBI:17098; NCGC00091642-01; 3, 4-Dimethoxybenzaldehyde; AJ-13584; 3,4 dimethoxybenzaldehyde; FEMA No. 3109; Veratral; CJ-01437; Veratraldehyde, >=98%, FG; ACMC-209a6e; NCGC00091642-03; AK-46721; Tox21_303074; W-108485; ZINC155456; CS-W019906; SC-00570; Verapamil Related Compound E, United States Pharmacopeia (USP) Reference Standard; EINECS 204-373-2; Veratryl aldehyde; ST5213394; AH-034/32845024; InChI=1/C9H10O3/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-6H,1-2H; 3,4-Dimethoxybenzaldehyde; Benzaldehyde, 3,4-dimethoxy-; 94860_FLUKA; CHEBI:17098; WLN: VHR CO1 DO1; C02201; NCGC00091642-01; Veratrum aldehyde; NCGC00091642-02; Vanillin methyl ether; Methylvanillin; FEMA No. 3109; 3,4-Dimethoxybenzenecarbonal; Protocatechuecaldehyde dimethyl ether; W310905_ALDRICH; NSC8500; ZINC00155456; p-Veratric aldehyde; BRN 0473899; Veratraldehyde; Protocatechuic aldehyde dimethyl ether; CCRIS 6285; 120-14-9; NSC24521; NSC 24521; 4-O-Methylvanillin; 4-08-00-01765 (Beilstein Handbook Reference); AI3-08099; 143758_ALDRICH; Protocatechualdehyde dimethyl ether; Veratric aldehyde; EINECS 204-373-2; 3,4-DIMETHOXY-BENZALDEHYDE; Veratryl aldehyde; veratraldehyde; methylvanillin; Veratral C9H10O3 166.17 g/mol COC1=C(C=C(C=C1)C=O)OC
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
TCMBANKIN061915 3-dimethylallyl-4-methoxy-2-quinolone 3,3-dimethylallyl-4-methoxy-2-quinolone;2-(nonan-8-one)-(1h)-4-quinolone C18H23NO2 COC1C2=CC=CC=C2NC(=O)C1(CCC=C)CCC=C
   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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