Plant Summary
Plant Information
TCMBank_ID: | TCMBANKHE005980 |
YEM_ID: | YEM-13 |
ID: | TCMBANKHE005980/YEM-13 |
植物拉丁名: |
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功能与主治: | To dispel wind-heat from the head and eyes, and to promote eruption./Chronic urticaria, infection of upper respiratory tract, sarcoma, wind-heat exterior syndrome, headache and red eyes, swelling pain in throat, non-eruption of measles, dormant papules with pruritus, liver depression and rib-side pain, abdominal distention. |
药用植物名: | 薄荷 |
药名: | 薄荷 |
来源: | 云南民族药物志：第一卷 |
药用部位: | dried aerial parts |
使用民族: | 阿昌族/傣族/德昂族/哈尼族/景颇族/傈僳族/彝族 |
药味: | Cool; Pungent |
经络: | Lung; Liver |
治疗类型: | 辛凉解表药 |
TCM_ID_id: | 5534 |
SymMap_id: | 37 |
TCMSP_id: | 65 |
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 |
|---|
| 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 |
| TCMBANKIN000144 | rosmarinine | NSC125830; 520-65-0; Rosmarinine; CHEMBL1985054; NSC-125830 | C18H27NO6 | 353.4 g/mol | CC=C1CC(C(C(=O)OCC2C(CN3C2C(CC3)OC1=O)O)(C)O)C |
| TCMBANKIN000288 | (1R,2R,4R)-Dihydrocarveol | (1R,2R,5R)-5-Isopropenyl-2-methylcyclohexanol; LMPR01020079; (1R,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol; (1R,2R,5R)-5-isopropenyl-2-methyl-1-cyclohexanol; (−)-Dihydrocarveol; C11396; (1R,2R,5R)-5-isopropenyl-2-methyl-cyclohexan-1-ol; 37278_FLUKA; (1R,2R,5R)-2-methyl-5-prop-1-en-2-yl-cyclohexan-1-ol | C10H18O | 154.25 | CC1CCC(CC1O)C(=C)C |
| TCMBANKIN000481 | Hexyl acetate | 142-92-7; BRN 1747138; ZINC01683479; 45900_FLUKA; Hexyl alcohol, acetate; Hexyl ethanoate; 461245_ALDRICH; W256528_ALDRICH; Hexyl acetate (natural); 108154_ALDRICH; 88230-35-7; 1-Hexyl acetate; n-Hexyl ethanoate; n-Hexyl acetate; EINECS 205-572-7; l-Hexyl acetate; Hexylester kyseliny octove [Czech]; Capryl acetate; C8634_SIGMA; 25539_FLUKA; Acetic acid, hexyl esters mixture; Acetic acid, hexyl ester; HSDB 5641; 4-02-00-00159 (Beilstein Handbook Reference); hexyl acetate; WLN: 6OV1; Hexanol, acetate, branched and linear; NSC 7323; AI3-28569; acetic acid hexyl ester; W256501_ALDRICH; NSC7323; FEMA No. 2565 | C8H16O2 | 144.21 g/mol | CCCCCCOC(=O)C |
| TCMBANKIN000809 | 8-acetoxy-carvotanacetone | C12H18O3 | 210.27 g/mol | CC1=CCC(CC1=O)C(C)(C)OC(=O)C | |
| TCMBANKIN001083 | (1S,2R,4R)-2-methyl-3-methylene-2-(4-methylpent-3-enyl)norbornane | (1S,4R,6R)-6-methyl-5-methylidene-6-(4-methylpent-3-enyl)bicyclo[2.2.1]heptane | 204.39 | ||
| TCMBANKIN001284 | myristoleicacid | LMFA01030250; 9E-Tetradecenoate; myristoleic acid; Myristoleinsaure; trans-9-Tetradecenoate; (E)-tetradec-9-enoic acid; 0WAJ36526B; ZINC1531062; (9E)-9-Tetradecenoic acid; (9E)-tetradecenoic acid; trans-9-Tetradecenoic acid; 9E-tetradecenoic acid; SCHEMBL156569; SCHEMBL109271; (9E)-9-Tetradecenoic acid #; YWWVWXASSLXJHU-AATRIKPKSA-N; E-9-Tetradecenoic acid; C14:1n-5; (9E)-tetradec-9-enoic acid; AC1NSMNY; 50286-30-1; UNII-0WAJ36526B; (E)-9-Tetradecenoic acid; myristelaidate; CHEBI:131381; MolPort-003-958-761; Myristelaidic acid; AKOS032954684; (E)-tetradec-9-enoate; 9-Tetradecenoic acid, (9E)- | C14H26O2 | 226.35 g/mol | CCCCC=CCCCCCCCC(=O)O |
| TCMBANKIN001483 | cis-Ocimene, 8-oxo- | (2E)-2-ethenyl-6-methylhepta-2,5-dienal; (2E)-6-methyl-2-vinylhepta-2,5-dienal; (2E)-6-methyl-2-vinyl-hepta-2,5-dienal; (2E)-2-ethenyl-6-methyl-hepta-2,5-dienal | C10H14O | 150.22 g/mol | CC(=CCC=C(C=C)C=O)C |
| TCMBANKIN002027 | (2S,5R)-2-isopropenyl-5-methyl-1-cyclohexanone | (2S,5R)-5-methyl-2-prop-1-en-2-yl-cyclohexan-1-one; (2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-one; (2S,5R)-2-isopropenyl-5-methyl-cyclohexan-1-one | 152.26 | ||
| TCMBANKIN002550 | leucocyanidin | (2R,3R,4R)-2-(3,4-DIHYDROXYPHENYL)-3,4-DIHYDRO-2H-1-BENZOPYRAN-3,4,5,7-TETROL; ZINC4096940; (2R)-2alpha-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3alpha,4alpha,5,7-tetrol; 867061-09-4 | C15H14O7 | 306.27 g/mol | C1=CC(=C(C=C1C2C(C(C3=C(C=C(C=C3O2)O)O)O)O)O)O |
| TCMBANKIN003099 | 1,3-bis-[2-(3,4-dihydroxyphenyl)-1-carboxy]ethoxycarbonyl-2-(3,4-dihydroxyphenyl)-7,8-di-hydroxy-1,2-dihydronaphthalene | 1,3-bis-[2-(3,4-dihydroxyphenyl)-1-carboxy]ethoxycarbonyl-2-(3,4-dihydroxyphenyl)-7,8-dihydroxy-1,2-dihydronaphthalene | C36H30O16 | 718.66 | C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C2C(C(=CC3=C2C(=C(C=C3)O)O)C(=O)OC(CC4=CC(=C(C=C4)O)O)C(=O)O)C5=CC(=C(C=C5)O)O)O)O |
| TCMBANKIN004704 | 1-alpha-Terpinyl acetate | (R)-alpha,alpha,4-Trimethylcyclohex-3-ene-1-methyl acetate; 2-[(1S)-4-methyl-1-cyclohex-3-enyl]propan-2-yl acetate; 3-Cyclohexene-1-methanol, alpha,alpha,4-trimethyl-, acetate, (theta)-; [1-methyl-1-[(1S)-4-methyl-1-cyclohex-3-enyl]ethyl] acetate; (S)-alpha,alpha,4-Trimethylcyclohex-3-ene-1-methyl acetate; acetic acid [1-methyl-1-[(1S)-4-methyl-1-cyclohex-3-enyl]ethyl] ester; 3-Cyclohexene-1-methanol, alpha,alpha,4-trimethyl-, acetate, (1R)-; EINECS 232-082-0; 2-[(1S)-4-methyl-1-cyclohex-3-enyl]propan-2-yl ethanoate; EINECS 261-165-4; 58206-95-4; 3-Cyclohexene-1-methanol, alpha,alpha,4-trimethyl-, acetate, (S)-; 3-Cyclohexene-1-methanol, alpha,alpha,4-trimethyl-, acetate, (1S)-; 7785-54-8 | C12H20O2 | 196.29 | CC1=CCC(CC1)C(C)(C)OC(=O)C |
| TCMBANKIN005306 | 2-Hexanoylfuran | 2-hexanoylfuran; 1-(2-furyl)hexan-1-one; 1-Hexanone, 1-(2-furyl)-; 14360-50-0; 1-(2-Furanyl)-1-hexanone; FR-1262; FEMA No. 3418; Pentyl 2-furyl ketone; NSC27361; SBB008342; NSC 27361; 1-(2-Furyl)-1-hexanone; AI3-26556; 1-Hexanone, 1-(2-furanyl)-; EINECS 238-333-0; InChI=1/C10H14O2/c1-2-3-4-6-9(11)10-7-5-8-12-10/h5,7-8H,2-4,6H2,1H; 1-furan-2-ylhexan-1-one; 2-Furyl pentyl ketone; 2-Furyl n-pentyl ketone; 1-(2-Furyl)hexanone | C10H14O2 | 166.22 | CCCCCC(=O)C1=CC=CO1 |
| TCMBANKIN005658 | d-Dihydrocarvone | Cyclohexanone, 2-methyl-5-(1-methylethenyl)-, (2theta-trans)-; EINECS 226-872-4; Cyclohexanone, 2-methyl-5-(1-methylethenyl)-, (2R,5R)-; 5524-05-0; 5948-04-9; (2R,5R)-2-methyl-5-prop-1-en-2-yl-cyclohexan-1-one; (2R,5R)-5-isopropenyl-2-methyl-cyclohexan-1-one; trans-2-Methyl-5-(1-methylethenyl)cyclohexanone; ZINC00967816; LMPR01020081; (2R-trans)-2-Methyl-5-(1-methylvinyl)cyclohexan-1-one; p-MENTH-8-EN-2-ONE, E-; (1R,4R)-Dihydrocarvone; (E)-dihydrocarvone; C11398; Cyclohexanone, 2-methyl-5-(1-methylethenyl)-, trans-; (2R,5R)-5-isopropenyl-2-methyl-1-cyclohexanone; (2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one | C10H16O | 152.23 | CC1CCC(CC1=O)C(=C)C |
| TCMBANKIN005933 | menthenone | ||||
| TCMBANKIN006678 | diagalactosyl diglycerides | ||||
| TCMBANKIN007116 | 3-[2-(3,4-dihydroxyphenyl)-1-carboxy]ethoxycarbonyl-2-(3,4-dihydroxyphenyl)-7,8-dihydroxy-1,2-dihydronaphthalene-1-carboxylic acid | 538.49 | |||
| TCMBANKIN007637 | (1S,5S)-1-isopropyl-4-methylenebicyclo[3.1.0]hexane | (1S,5S)-1-isopropyl-4-methylene-bicyclo[3.1.0]hexane; (1S,5S)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane; (1S,5S)-4-methylidene-1-propan-2-yl-bicyclo[3.1.0]hexane | C10H16 | 136.23 g/mol | CC(C)C12CCC(=C)C1C2 |
| TCMBANKIN007664 | Fortunellin | 7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5-hydroxy-2-(4-methoxyphenyl)chromen-4-one; 7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-methoxyphenyl)chromen-4-one; 7-[[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-tetrahydropyranyl]oxy]-2-tetrahydropyranyl]oxy]-5-hydroxy-2-(4-methoxyphenyl)-4-chromenone; 7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy-oxan-2-yl]oxy-5-hydroxy-2-(4-methoxyphenyl)chromen-4-one; 7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-methylol-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5-hydroxy-2-(4-methoxyphenyl)chromone; fortunellin | C28H32O14 | 592.55 | CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)OC)O)CO)O)O)O)O)O |
| TCMBANKIN008312 | ISOPULEGOL | 59770_FLUKA; ZINC02558675; (1R,2S,5R)-2-isopropenyl-5-methyl-1-cyclohexanol; W296236_ALDRICH; W296228_ALDRICH; ZINC12153978; 50373-36-9; I28003_ALDRICH; 439061_ALDRICH; (1)-(1alpha,2beta,5alpha)-5-Methyl-2-(1-methylvinyl)cyclohexan-1-ol; EINECS 256-557-7; (?)-Neoisoisopulegol; SCHEMBL8818931; (−)-Isopulegol; 59905-53-2; (1R,2S,5R)-2-isopropenyl-5-methyl-cyclohexan-1-ol; (1R,2S,5R)-2-Isopropenyl-5-methylcyclohexanol; NSC1263; (1R,3R,4S)-p-Menth-8-en-3-ol; Cyclohexanol, 5-methyl-2-(1-methylethenyl)-, (1R,2S,5R)-rel-; isopulegol; (1R,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol; (1R,2S,5R)-5-methyl-2-prop-1-en-2-yl-cyclohexan-1-ol | C10H18O | 154.25 | CC1CCC(C(C1)O)C(=C)C |
| TCMBANKIN008324 | Pentanol-3 | 76950_FLUKA; 584-02-1; NSC8654; ZINC01648159; sec-inact.-Pentyl alcohol; Pentan-3-ol; 3-Pentanol; BRN 1730964; AI3-24335; 76948_FLUKA; Diethyl carbinol; WLN: QY2&2; sec-Pentanol; NSC 8654; 4-01-00-01662 (Beilstein Handbook Reference); 3-Pentyl alcohol; P8025_ALDRICH; EINECS 209-526-7 | C5H12O | 88.15 | CCC(CC)O |
| TCMBANKIN008887 | d-isomenthone | EINECS 214-813-5; (2R,5R)-2-isopropyl-5-methyl-1-cyclohexanone; Cyclohexanone, 5-methyl-2-(1-methylethyl)-, (2R-cis)-; (2R,5R)-5-methyl-2-propan-2-yl-cyclohexan-1-one; (2R,5R)-2-isopropyl-5-methylcyclohexanone; 18309-28-9; 1196-31-2; (2R,5R)-2-isopropyl-5-methyl-cyclohexan-1-one; (2R-cis)-5-methyl-2-(1-methylethyl)cyclohexanone; ZINC03860577; (+)-Isomenthone; (1R,4R)-p-menthan-3-one; EINECS 242-194-1; C11952; LMPR01020096; (2R,5R)-5-methyl-2-propan-2-ylcyclohexan-1-one; (2R,5R)-5-methyl-2-(propan-2-yl)cyclohexanone; CHEBI:36492; (2S-cis)-2-(Isopropyl)-5-methylcyclohexan-1-one | C10H18O | 154.25 | CC1CCC(C(=O)C1)C(C)C |
| TCMBANKIN008919 | isoguvacine | MLS000859962; Isoguvacine hydrochloride, solid; I02-4338; SR-01000075611-3; 1,2,3,6-tetrahydro-4-pyridinecarboxylicacidhydrochloride; Lopac-G-002; G-002; SY012592; KBio1_000115; SMR000326821; 1,2,3,6-tetrahydropyridine-4-carboxylic acid; IDI1_000115; NCGC00093946-02; 1,2,3,6-Tetrahydro-pyridine-4-carboxylic acid hydrochloride; Tocris-0235; EU-0100561; Isoguvacine (hydrochloride); ISOGUVACINE HYDROCHLORIDE; NINDS_000115; 68547-97-7; SUWREQRNTXCCBL-UHFFFAOYSA-N; HY-100810; NCGC00024509-03; NCGC00093946-03; NCGC00015456-01; SCHEMBL7958625; TRA0081918; B6230; 1,2,3,6-Tetrahydro-4-pyridinecarboxylic acid hydrochloride; MFCD00055192; NCGC00024509-01; TR-022104; SPECTRUM1502129; Biomol-NT_000254; Isoguvacine; LP00561; SR-01000075611; KBio3_002820; FT-0670465; I0871; Spectrum_001974; SC-49605; C13694; AX8223448; 4-Pyridinecarboxylic acid, 1,2,3,6-tetrahydro-, hydrochloride; AKOS025243370; BPBio1_000882; 1,2,3,6-Tetrahydro-pyridine-4-carboxylic acid hydr; KBio2_007667; 4-Pyridinecarboxylic acid, 1,2,3,6-tetrahydro-; KS-00000AIF; MolPort-003-983-601; CCG-221865; BSPBio_003318; 1,2,3,6-Tetrahydro-4-pyridinecarboxylic acid; Lopac0_000561; AKOS015847455; NCGC00093946-01; 64603-90-3 (Parent); AK154352; 1,2,3,6-TETRAHYDRO-4-PYRIDINECARBOXYLIC ACID HCL; 1,2,3,6-Tetrahydro-pyridine-4-carboxylic acidhydrochloride; Tox21_500561; BN0277; KBio2_002531; SC-49604; AC1L4DMR; 1,2,3,6-tetrahydropyridine-4-carboxylic acid hydrochloride; CS-6967; SR-01000075611-1; DTXSID00218663; 1,2,5,6,-Tetrahydroisonicotinic acid Hydrochloride; KBioSS_002540; KBio2_005099; CHEMBL540303; Spectrum3_001869; Z-2044; NCGC00261246-01; DivK1c_000115; Isoguvacine HCl; 1,2,5,6-tetrahydroisonicotinic acid hydrochloride | C6H9NO2 | 127.14 | C1CNCC=C1C(=O)O |
| TCMBANKIN008942 | meranzin | MCULE-6120837821; 489-53-2; Merangin; (R)-Meranzin; CHEMBL52267; 8-[(3,3-dimethyloxiran-2-yl)methyl]-7-methoxychromen-2-one; 2H-1-Benzopyran-2-one,8-[(3,3-dimethyl-2-oxiranyl)methyl]-7-methoxy-; AC1MXPBD; NP106; MolPort-002-509-445; ACM489532; AKOS030488681; STOCK1N-03926; BG00613907; 8-[(3,3-dimethyloxiran-2-yl)methyl]-7-methoxy-2H-chromen-2-one | C15H16O4 | 260.28 g/mol | CC1(C(O1)CC2=C(C=CC3=C2OC(=O)C=C3)OC)C |
| TCMBANKIN009195 | piperitenone oxide | DTXSID70335553; AC1LB0YD; 7-Oxabicyclo[4.1.0]heptan-2-one, 6-methyl-3-(1-methylethenyl)-; 90582-88-0; 6-methyl-3-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-2-one; CTK3G6543; 6-METHYL-3-(PROP-1-EN-2-YL)-7-OXABICYCLO[4.1.0]HEPTAN-2-ONE; ACMC-20lt4c | C10H14O2 | 166.22 g/mol | CC(=C)C1CCC2(C(C1=O)O2)C |
| TCMBANKIN009262 | ZINC01666986 | 340308_ALDRICH; (2R)-hexan-2-ol; (R)-(−)-2-Hexanol | C6H14O | 102.17 | CCCCC(C)O |
| TCMBANKIN009665 | 5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chromone | 5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one; 5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chromen-4-one; 5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-chromen-4-one; 5-hydroxy-2-(4-hydroxyphenyl)-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxymethyl]-2-tetrahydropyranyl]oxy]-4-chromenone | C27H30O15 | 594.52 | |
| TCMBANKIN010903 | (S)-Matsutake alcohol | ZINC02026960; (S)-1-Octen-3-ol; (S)-oct-1-en-3-ol; (3S)-oct-1-en-3-ol; CHEBI:46735; 3OL; 40577_FLUKA | C8H16O | 128.21 | CCCCCC(C=C)O |
| TCMBANKIN011551 | Prunin | CHEBI:28327; LMPK12140237; (2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychroman-4-one; prunin; (2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chroman-4-one; (2S)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl beta-D-glucopyranoside; (2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chroman-4-one; (S)-7-(beta-D-Glucopyranosyloxy)-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; prunin ; Naringenin-7-O-glucoside; SCHEMBL318230; 529-55-5; (2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-chromanone; EINECS 208-464-8; NCGC00163599-01; Naringenin 7-O-beta-D-glucoside; (2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chroman-4-one; NSC 135064; C09099 | C21H22O10 | 434.39 | C1C(OC2=CC(=CC(=C2C1=O)O)OC3C(C(C(C(O3)CO)O)O)O)C4=CC=C(C=C4)O |
| TCMBANKIN011745 | 1-carboxy-2- (3, 4-dihydroxyphenyl) ethyl-1, 2-dihydroxy-naphthalene-2 | 1-carboxy-2- (3,4-dihydroxyphenyl) ethyl-1,2-dihydroxy-naphthalene-2; 1-carboxy-2-(3, 4-dihydroxyphenyl)ethyl-1, 2-dihydroxy-naphthalene-2 | |||
| TCMBANKIN011933 | monogalactosyl diglycerides | ||||
| TCMBANKIN012406 | (-)-Methyl 2-methylbutyrate | butanoic acid, 2-methyl-, methyl ester, (2R)-; 55449-44-0; (2R)-2-methylbutanoic acid methyl ester; Butanoic acid, 2-methyl-, methyl ester, (2R)- (9CI); (2R)-2-methylbutyric acid methyl ester; ZINC04521669; (-)-Methyl alpha-methylbutyrate; methyl (2R)-2-methylbutanoate; Methyl (R)-2-methylbutanoate; Butanoic acid, 2-methyl-, methyl ester, (R)- | C6H12O2 | 116.16 | CCC(C)C(=O)OC |
| TCMBANKIN012452 | gycomoside i | (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(E,2R)-7-hydroxy-6-methyl-2-[(10R,12R,13S,14R,17S)-1,3,12-trihydroxy-4,4,10,14-tetramethyl-1,2,3,5,6,7,8,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]oct-5-en-2-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol; 1,3,12,20,26-Pentahydroxydammar-24(25)-ene-20-O-glucopyranosyl-1-6-glucopyranoside; AC1O5ZH3 | C42H72O15 | 817 g/mol | CC(C(=CCCC(C)(C1CCC2(C1C(CC3C2CCC4C3(C(CC(C4(C)C)O)O)C)O)C)OC5C(C(C(C(O5)COC6C(C(C(C(O6)CO)O)O)O)O)O)O)C)O |
| TCMBANKIN012784 | tetradecenoicacid b | tetradecenoic acid b | |||
| TCMBANKIN013387 | guvacine | BN0243; Lopac-G-007; Lopac0_000571; 1,2,5,6-Tetrahydro-3-pyridinecarboxylic acid; EU-0100571; 1,2,5,6-tetrahydropyridine-3-carboxylic acid hydrochloride; Guvacine; SCHEMBL1057880; NCGC00015457-01; DivK1c_006904; MLS000859975; CCG-38871; KBio2_004474; Tox21_500571; MFCD00055191; BPBio1_000838; FT-0669083; SR-01000075614-1; 498-96-4; Spectrum4_001753; EN000938; Tocris-0234; AK-82183; AKOS025243938; NCGC00261256-01; MCULE-9382105537; LP00571; 1,2,5,6-Terahydropyridine-3-carboxylic acid hydrochloride; NCGC00024508-01; Guvacine hydrochloride, >=97% (NMR), solid; FGNUNVVTHHKDAM-UHFFFAOYSA-N; 1,2,5,6-Tetrahydronicotinic acid hydrochloride; KBio2_001906; TR-020835; NCGC00093955-03; ACM498964; 1,2,5,6-tetrahydropyridine-3-carboxylic acid; 8985AB; Spectrum_001426; Spectrum5_000606; SMR000326834; SPECTRUM1502126; G-007; Spectrum3_001511; SR-01000075614-3; ZX-CM014693; SR-01000075614-6; MolPort-003-665-602; KBioGR_002226; CHEMBL1256362; 1,2,5,6-Tetrahydronicotinic acid; B6229; Guvacine hydrochloride; KBioSS_001906; Guvacine HCl; SPBio_001427; ANW-67778; TRA0072680; KB-123426; Biomol-NT_000253; Y1163; SR-01000075614; NCGC00093955-01; 1,2,5,6-tetrahydro-3-pyridinecarboxylic acid, hydrochloride salt; 3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-; Spectrum2_001474; NCGC00024508-03; Ambcb4141599; SDCCGMLS-0066665.P001; KBio1_001848; 6027-91-4; BSPBio_003181; AX8236874; SpecPlus_000808; C10149; NCGC00093955-02; GUVACINE HYDROCHLORIDE >96% \ GABA UPTAK; KBio3_002681; KBio2_007042; Z-2043; 1,2,5,6-Tetrahydro-pyridine-3-carboxylic acid hydrochloride; AKOS015849631; CTK7I6002 | C6H9NO2 | 127.14 | C1CNCC(=C1)C(=O)O |
| TCMBANKIN013540 | (1R,4aR,8aS)-1-isopropyl-7-methyl-4-methylene-2,3,4a,5,6,8a-hexahydro-1H-naphthalene | (1R,4aR,8aS)-7-methyl-4-methylidene-1-propan-2-yl-2,3,4a,5,6,8a-hexahydro-1H-naphthalene | C15H24 | 204.35 | |
| TCMBANKIN013815 | (1S,2R)-1-(3,4-dihydroxyphenyl)-6,7-dihydroxy-1,2-dihydronaphthalene-2,3-dicarboxylic acid | 358.32 | |||
| TCMBANKIN013988 | tetradecenoicacid a | ||||
| TCMBANKIN014175 | Piperitenone | NCI60_023460; 3-methyl-6-propan-2-ylidene-cyclohex-2-en-1-one; LMPR0102090056; p-Menth-1,4(8)-dien-3-one; CHEMBL54161; UNII-IKR841W74D; 3-Methyl-6-(1-methylethylidene)-2-cyclohexen-1-one #; NSC-667470; CHEBI:17304; ZINC18157343; IKR841W74D; AIDS-161030; Pulespenone; FEMA No. 3560; 6-isopropylidene-3-methyl-cyclohex-2-en-1-one; p-Mentha-1,4(8)-dien-3-one; 2-Cyclohexen-1-one,3-methyl-6-(1-methylethylidene)-; SCHEMBL220677; 1-Methyl-4-isopropylidene-1-cyclohexen-3-one; NSC667470; AC1Q6A92; FEMA 3560; AK546262; 3-Methyl-6-(propan-2-ylidene)cyclohex-2-enone; 3-methyl-6-propan-2-ylidenecyclohex-2-en-1-one; AIDS161030; 3-Methyl-6-(1-methylethylidene)-2-cyclohexen-1-one; 2-CYCLOHEXEN-1-ONE, 3-METHYL-6-(1-METHYLETHYLIDENE)-; 3-Methyl-6-(1-methylethylidene)-2-cyclohexen-1-one, 9CI; HKZQJZIFODOLFR-UHFFFAOYSA-N; AKOS022504705; 3-methyl-6-(propan-2-ylidene)cyclohex-2-en-1-one; HKZQJZIFODOLFR-UHFFFAOYSA-; 6-isopropylidene-3-methyl-1-cyclohex-2-enone; MolPort-001-787-631; Z2492396266; piperitenone; EINECS 207-729-5; InChI=1/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h6H,4-5H2,1-3H3; C01951; AC1L8GSJ; 6-Isopropylidene-3-methyl-2-cyclohexenone; 3-Methyl-6-(1-methylethylidene)cyclohex-2-en-1-one; 3-Terpinolenone; 491-09-8 | C10H14O | 150.22 | CC1=CC(=O)C(=C(C)C)CC1 |
| TCMBANKIN014793 | (1S,2S)-2-isopropenyl-4-isopropylidene-1-methyl-1-vinylcyclohexane | (1S,2S)-2-isopropenyl-4-isopropylidene-1-methyl-1-vinyl-cyclohexane; nchembio.2007.29-comp12; (1S,2S)-1-ethenyl-1-methyl-4-propan-2-ylidene-2-prop-1-en-2-ylcyclohexane; (1S,2S)-1-ethenyl-1-methyl-4-propan-2-ylidene-2-prop-1-en-2-yl-cyclohexane | C15H24 | 204.35 | |
| TCMBANKIN015220 | (6R)-6-isopropyl-3-methyl-1-cyclohex-2-enone | 2-Cyclohexen-1-one, 3-methyl-6-(1-methylethyl)-, (6R)-; (R)-6-(Isopropyl)-3-methylcyclohex-2-en-1-one; EINECS 224-957-0; (6R)-6-isopropyl-3-methyl-cyclohex-2-en-1-one; (6R)-3-methyl-6-propan-2-ylcyclohex-2-en-1-one; 4573-50-6; (6R)-3-methyl-6-propan-2-yl-cyclohex-2-en-1-one | C10H16O | 152.23 | CC1=CC(=O)C(CC1)C(C)C |
| TCMBANKIN016459 | didymin | didymin_qt; poncirin_qt; isosakuranetin-7-rutinoside_qt | C28H34O14 | 594.56 | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC=C(C=C5)OC)O)O)O)O)O)O)O |
| TCMBANKIN019116 | 4,7-DIMETHYLBENZOFURAN | Benzofuran, 4,7-dimethyl-; 4,7-dimethyl-1-benzofuran; EINECS 249-184-6; 28715-26-6 | C10H10O | 146.19 | CC1=C2C=COC2=C(C=C1)C |
| TCMBANKIN019139 | gar-denin B,5,6-dihydroxy-7,8,4'-trimethoxy flavone | ||||
| TCMBANKIN019543 | 2-[(1S)-4-methyl-5-oxo-1-cyclohex-3-enyl]propan-2-yl acetate | acetic acid [1-methyl-1-[(1S)-4-methyl-5-oxo-1-cyclohex-3-enyl]ethyl] ester; acetic acid [1-[(1S)-5-keto-4-methyl-1-cyclohex-3-enyl]-1-methyl-ethyl] ester; 2-[(1S)-4-methyl-5-oxo-1-cyclohex-3-enyl]propan-2-yl ethanoate; [1-methyl-1-[(1S)-4-methyl-5-oxo-1-cyclohex-3-enyl]ethyl] acetate | C12H18O3 | 210.27 | |
| TCMBANKIN019698 | 6-dihydroxy-7-methoxycoumarin | C20H20O8 | COC1=C(C=C2C(=C1)C=CC(=O)O2)OC(CO)C(C3=CC(=C(C=C3)O)OC)O | ||
| TCMBANKIN020588 | procurcumenol | Epiprocurcumenol | C15H22O2 | 234.33 | CC1=CC(=O)C(=C(C)C)CC2C1CCC2(C)O |
| TCMBANKIN020610 | 3-hexenyl acetate butyrate | ||||
| TCMBANKIN021950 | (1Z,4E,8E)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene | C15H24 | 204.35 | ||
| TCMBANKIN022313 | (1R,4R)-4-isopropyl-1,6-dimethyltetralin | (1R,4R)-1,6-dimethyl-4-propan-2-yl-1,2,3,4-tetrahydronaphthalene; (1R,4R)-4-isopropyl-1,6-dimethyl-tetralin | C15H22 | 202.34 | |
| TCMBANKIN022383 | 1-(3,4-dihydroxyphenyl)-3-[2-(3,4-dihydroxyphenyl)-1-carboxy]ethoxycarbonyl-6,7-dihydroxy-1,2-dihydronaphthalene-2-carboxylic acid | 538.49 | |||
| TCMBANKIN022422 | (−)-Alloaromadendrene | (−)-allo-Aromadendrene; 05680_FLUKA | C10H18O | 154.25 | |
| TCMBANKIN022544 | ZINC00901303 | InChI=1/C5H10O/c1-3-5(2)4-6/h4-5H,3H2,1-2H | C5H10O | 86.13 | |
| TCMBANKIN023626 | phenylalanine | ZB003544; 2S-alpha-phenylalanine; L-phenylalanine zwitterion; (2S)-2-azaniumyl-3-phenylpropanoate; CHEBI:58095; CJ-00758; AC1OBQNX; Phenyl alanine; (2S)-2-ammonio-3-phenylpropanoate | C9H11NO2 | 165.19 g/mol | C1=CC=C(C=C1)CC(C(=O)[O-])[NH3+] |
| TCMBANKIN023780 | 1-[2-(3,4-dihydroxyphenyl)-1-carboxy]ethoxycarbonyl-2-(3,4-dihydroxyphenyl)-3-[2-(3,4-dihydroxyphenyl)-1-methoxycarbonyl]ethoxycarbonyl-7,8-dihydrox-1,2-dihydronaphthalene | 732.69 | |||
| TCMBANKIN023955 | ZINC02011663 | (3R)-octan-3-ol | C8H18O | 130.23 | CCCCCC(CC)O |
| TCMBANKIN025361 | 7,8-dihydroxy-2-(3,4-dihydroxyphenyl)-1,2-dihydronaphthalene-1,3-dicarboxylic acid | 358.32 | |||
| TCMBANKIN025619 | (+)-Catechin-5-O-glucoside | (2S,3R,4S,5S,6R)-2-[[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-5-chromanyl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol; (2S,3R,4S,5S,6R)-2-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-chroman-5-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol; (2S,3R,4S,5S,6R)-2-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxychroman-5-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol; (+)-catechin-5-o-glucoside; (2S,3R,4S,5S,6R)-2-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-chroman-5-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol; (2S,3R,4S,5S,6R)-2-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-chroman-5-yl]oxy-6-methylol-tetrahydropyran-3,4,5-triol; (2S,3R,4S,5S,6R)-2-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-chroman-5-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol; (?)-Epicatechin-5-O-beta-D-glucopyranoside | C21H24O11 | 452.4 g/mol | C1C(C(OC2=C1C(=CC(=C2)O)OC3C(C(C(C(O3)CO)O)O)O)C4=CC(=C(C=C4)O)O)O |
| TCMBANKIN026968 | Eriocitrin | C09732; (2S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-tetrahydropyranyl]oxymethyl]-2-tetrahydropyranyl]oxy]-4-chromanone; 32737-63-6; Eriodictyol 7-O-rutinoside; eriocitrin; Eriodictioside; 45714_FLUKA; CHEBI:28709; NCGC00163549-01; (2S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chroman-4-one; (2S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxymethyl]oxan-2-yl]oxy-chroman-4-one; 13463-28-0; (2S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychroman-4-one; (S)-7-((6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-5-hydroxy-4H-benzopyran-4-one; 4H-1-Benzopyran-4-one, 7-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-5-hydroxy-, (S)-; (S)-3',4',5,7-Tetrahydroxyflavanone-7-[6-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranoside]; (2S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-3,4-dihydro-2H-chromen-7-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside; 52389-55-6; Flavanone, 3',4',5,7-tetrahydroxy-, 7-(6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside); Glucopyranoside, eriodictyol-7 6-O-(6-deoxy-alpha-L-mannopyranosyl)-, beta-D-; EINECS 236-668-7 | C27H32O15 | 596.53 | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O)O |
| TCMBANKIN026979 | (1R,4S)-Iso-dihydrocarvone | C11412; (2R,5S)-2-methyl-5-prop-1-en-2-yl-cyclohexan-1-one; (2R,5S)-5-isopropenyl-2-methyl-1-cyclohexanone; (2R,5S)-5-isopropenyl-2-methyl-cyclohexan-1-one; LMPR01020085; (2R,5S)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one | C10H16O | 152.23 g/mol | CC1CCC(CC1=O)C(=C)C |
| TCMBANKIN027581 | 1-[2-(3,4- dihydroxyphenyl)-1-methoxycarbonyl]ethoxycarbonyl-2-(3,4- dihydroxyphenyl)-3-[2-(3,4- dihydroxyphenyl)-1-carboxy] ethoxycarbonyl-7,8- dihydroxy-1,2-dihydronaphthalene | 718.66 | |||
| TCMBANKIN027992 | eriodictyol | Eriodictyol; (2S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-chromanone; 552-58-9; CHEBI:28412; (2S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydro-4H-chromen-4-one; C05631; (S)-3',4',5,7-Tetrahydroxyflavanone; 74565_FLUKA; eriodictyol ; ERD; (2S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychroman-4-one; ZINC00058117; (2S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-4-one | C15H12O6 | 288.25 | C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)O)O |
| TCMBANKIN029021 | PTBP | 425761_ALDRICH; Ucar butylphenol 4-T flake; Phenol, p-tert-butyl-; C14200; 506761_SUPELCO; Phenol, 4-(1,1-dimethylethyl)-; Phenol, p-(tert-butyl)-; InChI=1/C10H14O/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7,11H,1-3H; NCGC00159377-03; 98-54-4; p-terc.Butylfenol; p-t-Butyl phenol; WLN: QR DX1 & 1 & 1; AI3-00126; NSC3697; 4-(1,1-Dimethylethyl)phenol; 4-t-Butylphenol; EPA Pesticide Chemical Code 064113; 4-(T-BUTYL)PHENOL; W391808_ALDRICH; 1-Hydroxy-4-tert-butylbenzene; Butylphen; p-tert-Butylphenol; EINECS 202-679-0; Ucar butylphenol 4-T; Caswell No. 130E; NCGC00159377-02; NSC 3697; B99901_ALDRICH; 4-tert-Butylphenol; p-terc.Butylfenol [Czech]; CHEBI:34444 | C10H14O | 150.22 | CC(C)(C)C1=CC=C(C=C1)O |
| TCMBANKIN029470 | Arecolidine | AC1NSYRN; 3,4-dimethoxy-1-methyl-2H-pyridine; arecolidine; 57680-57-6 | C8H13NO2 | 155.19 g/mol | CN1CC(=C(C=C1)OC)OC |
| TCMBANKIN029799 | luteolin-7-o-rutinoside | luteolin 7-o-rutinoside; 7-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-4H-chromen-4-one; 3',4'-Dihydroxy-7-[(2-O-alpha-L-rhamnopyranosyl-beta-D-glucopyranosyl)oxy]flavone; scolymoside; luteolin-7-o-rutinoside | C27H30O14 | 578.5 g/mol | CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC4=C(C=C3)C(=O)C=C(O4)C5=CC(=C(C=C5)O)O)CO)O)O)O)O)O |
| TCMBANKIN029973 | methoside | ||||
| TCMBANKIN031596 | 1,3-bis-[2-(3,4-d ihydroxyphenyl)-1-methoxy-carbonyl]ethoxycarbonyl-2-(3,4-dihydroxy-phenyl)-7,8-dihydroxy-1,2-dihydronaphthal-ene | 1,3-bis[2-(3,4-dihydroxyphenyl)-1-methoxycarbonyl]ethoxy carbonyl-2-(3,4-dihydroxyphenyl)-7,8-dihydroxy-1,2-dihydronaphthalene | C38H34O16 | 746.72 | |
| TCMBANKIN033247 | l-homoarginine | C7H16N4O2 | 188.23 g/mol | C(CCN=C(N)N)CC(C(=O)O)N | |
| TCMBANKIN033903 | cis-3-Hexenyl butyrate | 3-Hexenyl butanoate, cis-; cis-Butyric acid, 3-hexenyl ester; cis-3-Hexen-1-yl butyrate; 3-Hexenyl butyrate, cis-; butanoic acid [(Z)-hex-3-enyl] ester; AI3-33202; 3-Hexenyl butanoate, (Z)-; W340200_ALDRICH; Butyric acid, 3-hexenyl ester, (Z)-; 3-Hexenyl butyrate, (Z)-; Butanoic acid, 3-hexenyl ester, (Z)-; [(Z)-hex-3-enyl] butanoate; (Z)-3-hexenyl butyrate; cis-3-Hexenyl butyrate (natural); butyric acid [(Z)-hex-3-enyl] ester; (Z)-Hex-3-enyl butyrate; Butanoic acid, (3Z)-3-hexenyl ester; beta,gamma-Hexenyl butyrate; 16491-36-4; EINECS 240-553-7; FEMA No. 3402 | C10H18O2 | 170.25 | CCCC(=O)OCCC=CCC |
| TCMBANKIN034062 | ()-p-Mentha-2,8-diene | (3R,6R)-3-methyl-6-prop-1-en-2-yl-cyclohexene; (3R,6R)-3-isopropenyl-6-methyl-cyclohexene; (3R,6R)-3-methyl-6-prop-1-en-2-ylcyclohexene; 58923_FLUKA; 5113-87-1; (1R)-()-trans-Isolimonene; (3R-trans)-3-Methyl-6-(1-methylvinyl)cyclohexene; (3R,6R)-3-isopropenyl-6-methylcyclohexene; EINECS 225-843-3 | C10H16 | 136.23 | CC1CCC(C=C1)C(=C)C |
| TCMBANKIN034581 | 1-[2-(3,4-dihydroxyphenyl)-1-carboxy]ethoxycarbonyl-2-(3,4-dihydroxyphenyl)-7,8-dihydroxy-1,2-dihydronaphthalene-3-carboxylic acid | 538.49 | |||
| TCMBANKIN034971 | (3R)-3-phenylbutanal | (3R)-3-phenylbutyraldehyde | C10H12O | 148.2 | CC(CC=O)C1=CC=CC=C1 |
| TCMBANKIN035502 | d-Piperitone | InChI=1/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h6-7,9H,4-5H2,1-3H; 2-Cyclohexen-1-one, 3-methyl-6-(1-methylethyl)-, (S)-; 89-81-6; alpha-Piperitone; (6S)-3-methyl-6-(propan-2-yl)cyclohex-2-en-1-one; (6S)-3-methyl-6-propan-2-ylcyclohex-2-en-1-one; (6S)-6-isopropyl-3-methyl-cyclohex-2-en-1-one; FEMA No. 2910; Piperitone, alpha-; LMPR01020066; (S)-piperitone; 2-Cyclohexen-1-one, 3-methyl-6-(1-methyethyl)-, (S)-; d-Piperitone (natural); C09885; (+)-Piperitone; 4-Isopropyl-1-methyl-1-cyclohexen-3-one; 6091-50-5; (6S)-3-methyl-6-propan-2-yl-cyclohex-2-en-1-one; CHEBI:41; 3-Methyl-6-(1-methylethyl)-2-cyclohexen-1-one, (S)-; (S)-3-methyl-6-(1-methylethyl)-2-cyclohexen-1-one; 6-isopropyl-3-methylcyclohex-2-en-1-one; PIPERITONE, D-; (6S)-6-isopropyl-3-methyl-1-cyclohex-2-enone | C10H16O | 152.23 | CC1=CC(=O)C(CC1)C(C)C |
| TCMBANKIN036097 | Homoarecoline | 5497-43-8; BRN 0125290; 28125-84-0; 1-methyl-5,6-dihydro-2H-pyridine-3-carboxylic acid ethyl ester; NICOTINIC ACID, 1,2,5,6-TETRAHYDRO-1-METHYL-, ETHYL ESTER; Arecaidine-ethyl ester; Ethyl 1-methyl-1,2,5,6-tetrahydronicotinate; homoarecoline; ethyl 1-methyl-5,6-dihydro-2H-pyridine-3-carboxylate | C9H15NO2 | 169.22 | CCOC(=O)C1=CCCN(C1)C |
| TCMBANKIN036174 | 1,3,8-p-Menthatriene | 1,3,8- p- menthatriene; 1-methyl-4-prop-1-en-2-yl-cyclohexa-1,3-diene; 1,3-Cyclohexadiene, 2-methyl-5-(1-methylethenyl)-; 1,3,8-p-menthatriene; 1-isopropenyl-4-methylcyclohexa-1,3-diene; 1-methyl-4-prop-1-en-2-ylcyclohexa-1,3-diene; 1-isopropenyl-4-methyl-cyclohexa-1,3-diene; 18368-95-1 | C10H14 | 134.22 | CC1=CC=C(CC1)C(=C)C |
| 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 |
| TCMBANKIN036384 | [(1R,2R,5R)-2-isopropyl-5-methyl-cyclohexyl] acetate | [(1R,2R,5R)-5-methyl-2-propan-2-yl-cyclohexyl] ethanoate; 20777-36-0; 50539-17-8; Cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate, (1R,2R,5R)-rel-; acetic acid [(1R,2R,5R)-2-isopropyl-5-methyl-cyclohexyl] ester; [(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] acetate; acetic acid [(1R,2R,5R)-2-isopropyl-5-methylcyclohexyl] ester | C12H22O2 | 198.3 | CC1CCC(C(C1)OC(=O)C)C(C)C |
| TCMBANKIN036790 | rosmarinic acid | (2R)-3-(3,4-dihydroxyphenyl)-2-[3-(3,4-dihydroxyphenyl)acryloyl]oxy-propionic acid; 537-15-5 (ROSMARINATE); (2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]propanoic acid; AIDS-026336; Rosmarimic acid; C10489; ACon1_001068; SMR000445579; 536954_ALDRICH; Benzenepropanoic acid, .alpha.-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-3,4-dihydroxy-, (.alpha.R)-; 20283-92-5 (FREE ACID); (R)-O-(3,4-Dihydroxycinnamoyl)-3-(3,4- dihydroxyphenyl)lactic acid; 20283-92-5; (2R)-3-(3,4-dihydroxyphenyl)-2-[3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]propanoic acid; MEGxp0_000163; (2R)-3-(3,4-dihydroxyphenyl)-2-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]propanoic acid; MLS000697677; 2-[(E)-3-(3,4-dihydroxycyclohexa-1,5-dien-1-yl)-1-hydroxy-allyloxy]-3-(3,4-dihydroxyphenyl)propanoic acid; (2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-propanoic acid; SMP1_000245; AIDS026336; 3,4-Dihydroxycinnamic acid (R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethyl ester; Benzenepropanoic acid, .alpha.-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-3,4-dihydroxy-, (R-(E))-; (2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)acryloyl]oxy-propionic acid; (2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropanoic acid; Rosmarinic acid | C18H16O8 | 360.315 | c1([H])c([H])c(\C([H])=C([H])\C(=O)O[C@]([H])(C(O[H])=O)C([H])([H])c2c([H])c(O[H])c(O[H])c([H])c2[H])c([H])c(O[H])c1O[H] |
| TCMBANKIN036804 | acacetin | Linarigenin; KBio2_000595; AIDS014771; SPECTRUM200499; 480-44-4; Acaceztin; 4'-Methoxy-5,7-dihydroxyflavone; Akatsetin; A827453; KBio1_000878; 5,7-Dioxy-4'-methoxyflavone; Apigenin 4'-dimethyl ether; NSC76061; CHEBI:15335; Prestwick1_000695; Spectrum_000135; 5,7-dihydroxy-2-(4-methoxyphenyl)-4-chromenone; NINDS_000878; 00017_FLUKA; ZINC00005600; Acacetin; AIDS-014771; WLN: T66 BO EVJ CR DO1& GQ IQ; Acacetine; IDI1_000878; Flavone, 5,7-dihydroxy-4'-methoxy- (8CI); 5,7-Dihydroxy-2-(4-methoxyphenyl)-4-benzopyrone; Prestwick0_000695; NSC 76061; Spectrum5_000930; SPBio_002770; CHEBI:57284; KBioSS_000595; Prestwick_49; NCGC00095213-03; BCBcMAP01_000082; NCGC00016458-01; KBio2_003163; BPBio1_000935; Prestwick2_000695; KBio2_005731; ACAETIN; SMP1_000001; Apigenin 4'-methyl ether; DivK1c_000878; 7-hydroxy-2-(4-methoxyphenyl)-4-oxo-1-benzopyran-5-olate; Prestwick3_000695; 5,7-dihydroxy-2-(4-methoxyphenyl)chromone; 5,7-Dihydroxy-4'-methoxyflavone; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-methoxyphenyl)-; 5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one; BRN 0277879; Flavone, 5,7-dihydroxy-4'-methoxy-; 2-(4-methoxyphenyl)-7-oxidanyl-4-oxidanylidene-chromen-5-olate; C01470; CAS-480-44-4; Buddleoflavonol; NCGC00095213-01; Linarisenin; EINECS 207-552-3; 5-18-04-00575 (Beilstein Handbook Reference); NCGC00095213-02; ST066889; BSPBio_000849; Apisenin 4'-methyl ether; acacetin ; 5-hydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-olate; 4'-Methoxyapigenin; 5,7-dihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one | C16H12O5 | 284.263 | c1([H])c(OC(c2c([H])c([H])c(OC([H])([H])[H])c([H])c2[H])=C([H])C3=O)c3c(O[H])c([H])c1O[H] |
| TCMBANKIN036829 | ursolic acid | ursolicacid; U6753_SIGMA; AIDS-039057; AKOS022168209; Urs-12-en-28-oic acid, 3beta-hydroxy- (8CI); 77-52-1; s2370; 3beta-Hydroxyurs-12-en-28-oic acid; SMR000445681; NSC4060; MLS000728569; Ursolic acid; TOS-BB-0966; 3beta-Hydroxy-12-ursen-28-ic acid; (1S,2R,4R,6aS,6bR,8aR,10S,12aR,12bR,14bR)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,4a,5,6,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-1H-picene-4-carboxylic acid; ursolic acid ; BSPBio_000018; NSC 167406; H719; 89797_FLUKA; EINECS 201-034-0; Prunol; BPBio1_000020; (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid; AI3-03109; CHEBI:9908; ST056289; Ursolicacid; AC-8029; Urs-12-en-28-oic acid, 3-hydroxy-, (3beta)-; Ursolic acid (Malol); CCRIS 7123; BC216337; Urson; (3beta)-3-Hydroxyurs-12-en-28-oic acid; Prestwick3_000089; Malol; C08988; AKOS015965499; SCHEMBL1699371; MolPort-016-633-342; 209545-05-1; AS-13246; AIDS039057; NSC 4060 | C30H48O3 | 456.7 | CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)[O-] |
| TCMBANKIN036863 | hesperidin | Hesperetin 7-O-rutinoside; Flavanone, 3',5,7-trihydroxy-4'-methoxy-, 7-(6-O-alpha-L-rhamnosyl-delta-glucoside) (7CI); (2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-tetrahydropyranyl]oxymethyl]-2-tetrahydropyranyl]oxy]-4-chromanone; 15512-51-3; Hesperitin-7-rhamnoglucoside; (2S)-5-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxymethyl]oxan-2-yl]oxy-chroman-4-one; Hesperetin-rutinosid; 5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-((6-O-alpha-L-rhamnopyranosyl-beta-D-glucopyranosyl)oxy)-4-chromanon; 520-26-3; CHEBI:28775; (S)-7-[[6-O-(6-Deoxy-.alpha.-L-mannopyranosyl)-.beta.-D-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one; (2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychroman-4-one; 5-18-05-00218 (Beilstein Handbook Reference); hesperidin ; BSPBio_000619; Hesperidin; BRN 0075140; Atripliside B; 7-((6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one, (S)-; D01038; BCBcMAP01_000136; 3',5'-Dihydroxy-4'-methoxy-7-rutinosyloxyflavan-4-on; 7-(6-O-Desoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-chromanon; (2S)-5-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chroman-4-one; CCRIS 3940; Flavanone, 3',5,7-trihydroxy-4'-methoxy-, 7-(6-O-a-L-rhamnosyl-D-glucoside) (7CI); Glucopyranoside, hesperetin-7 6-O-(6-deoxy-alpha-L-mannopyranosyl)-, beta-D-; NSC 44184; (S)-(--)-hesperidin; (2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside; Prestwick3_000400; 106904-63-6; 28283-75-2; Hesperidine; C09755; AIDS-001414; 16643-24-6; SMP1_000149; Ciratin; Hesperetin, 7-(6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside); Hesperidin (JAN); 17654-22-7; 32737-61-4; 4H-1-Benzopyran-4-one, 7-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,3-dihydo-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-, (S)-; Hesperetin-rutinoside; EINECS 208-288-1; STOCK1N-12322; AIDS001414; BPBio1_000681; 30927-97-0; Hesper bitabs; 4H-1-Benzopyran-4-one, 7-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-, (2S)-; (2S)-Hesperidin | C28H34O15 | 611 | C([H])([H])([H])[C@]1([H])O[C@@]([H])(OC([H])([H])[C@]2([H])O[C@]([H])(Oc3c([H])c(O[C@@]([H])(c4c([H])c([H])c(OC([H])([H])[H])c(O[H])c4[H])C([H])([H])C5=O)c5c(O[H])c3[H])[C@@]([H])(O[H])[C@]([H])(O[H] )[C@@]2([H])O[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H] |
| TCMBANKIN036880 | diosmin | 520-27-4; C10039; 5-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chromen-4-one; 4H-1-Benzopyran-4-one, 7-((6-O-(6-deoxy-.alpha.-L-mannopyranosyl)-.beta.- D-glucopyranosyl)oxy)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-; Diosmin [INN]; Diosmetin 7-O-rutinoside; AIDS059330; Diosmine [INN-French]; 5-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxymethyl]oxan-2-yl]oxy-chromen-4-one; Diosminum [INN-Latin]; 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-tetrahydropyranyl]oxymethyl]-2-tetrahydropyranyl]oxy]-4-chromenone; AIDS-059330; Diosmin [INN-Spanish]; 4H-1-Benzopyran-4-one, 7-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-; 5-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chromone; CCRIS 7915; SMP1_000183; EINECS 208-289-7; 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one; D3908; diosmin ; Diosmin; STOCK1N-14729 | C28H32O15 | 608.5 g/mol | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O |
| 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] |
| TCMBANKIN036913 | naringenin | (2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)chroman-4-one; ZINC1785; Spectrum2_000325; 2,3-Dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; (-)-Naringenin; SDCCGMLS-0066570.P001; (2R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one; MLS000574861; KBio2_000727; CHEBI:50201; HMS3468H18; ALBB-015405; NCGC00017346-01; BBL010488; AJ-08090; DivK1c_000118; BB 0261506; (S)-2,3-dihydo-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; CAS-480-41-1; KBio3_001454; SC-85987; 4H-1-benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-, (2R)-; AIDS-001417; NINDS_000118; SCHEMBL17166263; Spectrum3_000567; 2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-benzopyrone; (2R)-naringenin; (2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-chromanone; BSPBio_001954; BB_NC-1001; MCULE-5852778653; NCGC00163598-01; BG01564988; MFCD03265520; naringenin ; 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-, (2S)-; (2R)-5,7,4'-trihydroxyflavone; AKOS004119880; CHEBI:17846; ST24036200; AC1LDI7C; KBioGR_000508; ZINC00156701; Phytochemistry 8: 127 (1969); R6691; Asahina; 4',5, 7-Trihydroxyflavanone; N1370; (2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one; C00509; 480-41-1; KBio2_003295; (2R)-4',5,7-trihydroxyflavanone; (+)-naringenin; Spectrum_000247; ZB000410; NAR; pelargidanon 1602; (R)-naringenin; IDI1_000118; STK801623; Spectrum5_001423; MolPort-002-507-277; Spectrum4_000124; 17654-19-2; KBio1_000118; KBioSS_000727; (+)-(2R)-5,7-dihydroxy-2-(4-hydroxyphenyl)chroman-4-one; (2R)-4',5,7-trihydroxyflavan-4-one; NCGC00016457-01; STOCK1N-05989; KBio2_005863; 5,7-Dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one; AIDS001417; BG00617674; TNP00287; (2R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one; SPECTRUM1500746; YSO1; SMR000156272; 4',5,7-triOH-Flavone; SPBio_000329 | C15H12O5 | 272.253 | c1(O[H])c([H])c([H])c([C@]2([H])Oc(c([H])c(O[H])c([H])c3O[H])c3C(=O)C2([H])[H])c([H])c1[H] |
| TCMBANKIN036917 | apigenin | 520-36-5; Spectrum2_000428; 10798_FLUKA; Biochem Biophys Res Comm 212: 767 (1997); CCRIS 3789; AIDS001401; apigenin-7-olate; KBioGR_002565; KBio3_002887; BSPBio_000368; 5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one; HSCI1_000221; Flavone, 4',5,7-trihydroxy-; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-; EINECS 208-292-3; A3145_SIGMA; 7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-1-benzopyran-5-olate; CHEBI:18388; IDI1_000798; NCGC00025057-04; AIDS-001401; NSC 83244; BPBio1_000406; Apigenol; 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-chromenone; NINDS_000798; NCGC00015049-02; 4′,5,7-Trihydroxyflavone; SPBio_002307; Prestwick_719; 2-(4-hydroxyphenyl)-7-oxidanyl-4-oxidanylidene-chromen-5-olate; Spectrum4_001999; Chamomile; KBio1_000798; BRN 0262620; Prestwick2_000414; Prestwick3_000414; SDCCGMLS-0066379.P001; CHEBI:58470; 5,7, 4'-trihydroxyflavone; NCGC00025057-02; 2-(p-Hydroxyphenyl)-5,7-dihydroxychromone; 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; APIGENIN; Lopac0_000065; K00045; 4′,5,7-Trihydroxyflavone; 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-benzopyrone; NCGC00025057-09; 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one; ACon1_002450; Oprea1_622293; EU-0100065; nchembio790-comp26; 4',5,7-Trihydroxyflavone; NCGC00025057-08; ND-9076; NCGC00025057-01; MEGxp0_000176; Apigenin; 4',5,7-Trihydroxyflavone; apigenin ; Prestwick1_000414; NCGC00015049-01; ZINC00004495; NCGC00025057-05; Spectrum3_001882; BiomolKI_000078; NCI60_041830; Bio1_001354; ghl.PD_Mitscher_leg0.1194; SPECTRUM200846; A828903; DivK1c_000798; 5-18-04-00574 (Beilstein Handbook Reference); 5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-olate; C.I. Natural Yellow 1; 461015-54-3; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)- (9CI); 5,7-dihydroxy-2-(4-hydroxyphenyl)chromone; SMP2_000338; BiomolKI2_000082; Prestwick0_000414; Tocris-1227; Lopac-A-3145; Bio1_000865; NSC83244; Versulin; Pelargidenon 1449; Bio1_000376; Spigenin; 5,7,4'-Trihydroxyflavone; ST056301; UCCF 031; SPBio_000416; Apigenine; C01477; CAS-520-36-5; BSPBio_003384 | C15H10O5 | 270.24 | C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O |
| 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] |
| TCMBANKIN037382 | Aloeemodin | AC1Q6JR7; SMP2_000291; Aloe-emodol; 1,8-Dihydroxy-3-(hydroxymethyl)anthra-9,10-quinone; DSSTox_RID_78855; AS-11638; NCGC00163510-02; HY-N0189; CCG-208456; Diacerein impurity B, European Pharmacopoeia (EP) Reference Standard; AJ-48016; DTXSID2030695; BC216172; TL8003252; 3-(Hydroxymethyl)chrysazin; MLS000697563; BBL027838; 1,8-dihydroxy-3-(hydroxymethyl)anthracene-9,10-dione; AK160272; 481-72-1; aloe emodine; MCULE-6965338444; RP29614; 1, 8-dihydroxy-3-hydroxymethylanthraquinone; BB_NC-2562; NCGC00255349-01; C10294; SR-01000765772; BG00617009; 9, 1,8-dihydroxy-3-(hydroxymethyl)-; ST24045939; DSSTox_CID_10695; Tox21_302400; NCGC00163510-03; Anthraquinone,8-dihydroxy-3-(hydroxymethyl)-; 1,8-Dihydroxy-3-(hydroxymethyl)anthra-9,10-quinone #; 1,8-Dihydroxy-3-hydroxymethyl-9,10-anthracenedione, 9CI; Aloeemodin; s2259; CS-3709; TR-031339; 1,8-Dihydroxy-3-hydroxymethylanthraquinone; 4-08-00-03578 (Beilstein Handbook Reference); AIDS-048396; InChI=1/C15H10O5/c16-6-7-4-9-13(11(18)5-7)15(20)12-8(14(9)19)2-1-3-10(12)17/h1-5,16-18H,6H; 1,8-dihydroxy-3-(hydroxymethyl)-9,10-anthrachinon; CAS-481-72-1; EINECS 207-571-7; UNII-C8IYT9CR7C; LMPK13040002; AC-020; NSC-38628; 9,10-Dihydro-4,5-dihydroxy-9,10-dioxo-2-hydroxymethyl-anthracene; 1,8-dihydroxy-3-methylol-9,10-anthraquinone; CCRIS 3526; AC1L1UPK; BG01563188; LS-2202; 1,8-dihydroxy-3-hydroxymethyl-anthraquinone; Aloe emodin; AX8006287; SR-01000765772-3; Q-100526; SC-46578; 3-Hydroxymethylchrysazin; Rhabarberone; AIDS048396; NSC 38628; BRN 2059062; C8IYT9CR7C; N1851; 1,8-Dihydroxy-3-(hydroxymethyl)-9,10-anthracenedione; AB0010470; Aloe-emodin, >=95% (HPLC); ZINC4098644; aloe emodin; HMS3655N16; D09BUG; CHEMBL40275; 1,8-Dihydroxy-3-(hydroxymethyl)-anthracene-9,10-dione (Aloe-Emodin); NCGC00163510-01; MLS006011799; 1,8-Dihydroxy-3-(hydroxymethyl)anthraquinone; AN-16215; NCI60_003685; Aloeemodin:9,10-Anthracenedione,1,8-dihydroxy-3-(hydroxymethyl)-,; cid_10207; 3-Hydroxymethylchrysazine; Aloe-emodin; SMR000470920; aloeemod-in; MFCD00017373; LMPK02000031; STL146380; 9,10-Anthracenedione, 1,8-dihydroxy-3-(hydroxymethyl)-; MolPort-003-931-716; FT-0622062; aloe-emodin; API0001418; 1,8-dihydroxy-3-(hydroxymethyl)anthra-9,10-quinone; Rottlerin?; ANTHRAQUINONE, 1,8-DIHYDROXY-3-HYDROXYMETHYL-; A7687_SIGMA; I14-1413; 9,10-Anthracenedione, 1,8-dihydroxy-3-(hydroxymethyl)- (9CI); CA-417; BDBM50085551; Aloe-emodine; YDQWDHRMZQUTBA-UHFFFAOYSA-N; NSC38628; Aloe-emodin, analytical standard; AKOS005720864; aloe-emodin ; SCHEMBL309756; 481A721; EMODINE; Anthraquinone, 1,8-dihydroxy-3-(hydroxymethyl)-; CHEBI:2607; DSSTox_GSID_30695; CA0128 | 270.24 | ||
| TCMBANKIN037541 | alpha-Cubebene | α-cubebene; α- cubebene; 17699-14-8; alpha-cubebene; C09647 | C15H24 | 204.351 | C([H])([H])([H])[C@@]1([H])[C@@]2([C@]3([H])C(C([H])([H])[H])=C([H])C2([H])[H])[C@@]3([H])[C@]([H])(C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C1([H])[H] |
| TCMBANKIN039597 | glutamic acid | AC1NP0EB; L-glutamate; [(2S)-1,5-dihydroxy-1,5-dioxopentan-2-yl]azanium; (2S)-2-Ammonioglutaric acid; 4o3b; 3dln; 3u93; 1s50; 2c6g; 3lmk; 4io2; 2i3v; 2a5s | C5H10NO4+ | 148.14 g/mol | C(CC(=O)O)C(C(=O)O)[NH3+] |
| TCMBANKIN040353 | arecatannin a2 | C60H50O24 | C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=C3C(=CC(=C4C5C(C(OC6=C(C(=CC(=C56)O)O)C7C(C(OC8=CC(=CC(=C78)O)O)C9=CC(=C(C=C9)O)O)O)C1=CC(=C(C=C1)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O | ||
| 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] |
| TCMBANKIN040588 | 5-hydroxy-6,7-dimethoxy-3-(4'-hydroxybenzyl)-4-chromanone | C18H18O6 | 330.3 g/mol | COC1=C(C(=C2C(=C1)OCC(C2=O)CC3=CC=C(C=C3)O)O)OC | |
| 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 |
| TCMBANKIN042818 | Tetradecenoic acid C | C14H26O2 | 226.355 | C([H])([H])(C([H])([H])C([H])([H])\C([H])=C([H])\C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)O[H] | |
| TCMBANKIN042858 | Luteolin | Prestwick3_000870; TNP00073; 2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-olate luteolin-7-olate(1-); 62696_FLUKA; ACon1_000223; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-chromenone; Digitoflavone; SMR000326896; luteolin-7-olate anion; 4H-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-; CHEBI:57545; FLAVONE, 3',4',5,7-TETRAHYDROXY-; 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-benzopyrone; A827664; BPBio1_001011; MEGxp0_000143; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy- (9CI); Weld Lake; BSPBio_000919; CHEBI:15864; 2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-olate; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromen-4-one; Oprea1_849964; Yama kariyasu; 4-[5,7-bis(oxidanyl)-4-oxidanylidene-chromen-2-yl]-2-oxidanyl-phenolate; ST024703; luteolin ; NCGC00016467-02; EINECS 207-741-0; AIDS001406; NCGC00142375-02; C.I. Natural Yellow 2; S00110; Luteoline; Luteolin; Luteolol; 3′,4′,5,7-Tetrahydroxyflavone; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-; Prestwick_122; 5,7,3',4'-Tetrahydroxyflavone; BRN 0292084; CAS-491-70-3; 4-(5,7-dihydroxy-4-oxo-1-benzopyran-2-yl)-2-hydroxyphenolate; ZINC00008613; NCGC00142375-01; Prestwick1_000870; AIDS-001406; C01514; CCRIS 3790; 3',4',5,7-Tetrahydroxyflavone; Flacitran; Cyanidenon 1470; MLS000697655; SPBio_002840; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one; Lopac0_000660; NCGC00016467-01; C.I. 75590; Prestwick0_000870; 491-70-3; 2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-oxylato-4H-1-benzopyran-4-one; 5-18-05-00296 (Beilstein Handbook Reference); Prestwick2_000870; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one; L9283_SIGMA; 3′,4′,5,7-Tetrahydroxyflavone; SMP2_000042; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromone | C15H10O6 | 286.236 | c1(O[H])c([H])c(OC(c2c([H])c([H])c(O[H])c(O[H])c2[H])=C([H])C3=O)c3c(O[H])c1[H] |
| TCMBANKIN043270 | p-Coumaric acid | CHEBI:32373; Para-Coumaric acid; ZB001183; trans-4-Hydroxycinnamic acid; (E)-3-(4-Hydroxyphenyl)-2-propenoic acid; 2-propenoic acid, 3-(4-hydroxyphenyl)-, (2E)-; Naringeninic acid; p-Cumaric acid; CHEBI:36090; p-Coumaric acid,trans; 501-98-4; (E)-3-(4-hydroxyphenyl)acrylic acid; trans-4-coumarate; 4'-Hydroxycinnamic acid; 4-(2-Carboxyethenyl)phenolate; HC4; trans-4-hydroxycinnamate; trans-p-Coumarinic acid; 4-hydroxycinnamate anion; 3-(4-hydroxyphenyl)acrylic acid; (2E)-3-(4-hydroxyphenyl)prop-2-enoic acid; 3-(4-hydroxyphenyl)prop-2-enoate; trans-p-Hydroxycinnamic acid; (E)-3-(4-hydroxyphenyl)prop-2-enoate; (E)-p-Hydroxycinnamic acid; 3-(4-hydroxyphenyl)acrylate; trans-4-coumaric acid; trans-p-Coumaric acid; (2E)-3-(4-hydroxyphenyl)acrylate; 4-10-00-01005 (Beilstein Handbook Reference); C00811; (2E)-3-(4-hydroxyphenyl)acrylic acid; BRN 2207383; CHEBI:12876; beta-(4-Hydroxyphenyl)acrylic acid; Para coumaric acid; COUMARATE; MLS001066419; 28200_FLUKA; p-Hydroxyphenylacrylic acid; Cinnamic acid, p-hydroxy-; 4-Coumaric acid; InChI=1/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12; 7400-08-0; beta-[4-hydroxyphenyl]acrylic acid; A828008; p-coumaricacid; SBB007613; 4-Hydroxycinnamate; Cinnamic acid, p-hydroxy-, (E)-; SMR000112201; 0-10-00-00297 (Beilstein Handbook Reference); CINNAMIC ACID,4-HYDROXY P-COUMARIC ACID; (E)-p-Coumaric acid; AIDS027710; CJ-00262; (2E)-3-(4-hydroxyphenyl)prop-2-enoate; 2-Propenoic acid, 3-(4-hydroxyphenyl)-; ZINC00039811; .beta.-[4-Hydroxyphenyl]acrylic acid; p-coumaric acid ; AC1NRBN2; InChI=1/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3; trans-p-coumarate; (E)-3-(4-hydroxyphenyl)prop-2-enoic acid; 4-Oxylatocinnamate; p-Hydroxycinnamic acid; HYDROXYCINNAMIC ACID; EINECS 231-000-0; BRN 2207381; NSC 674321; Enamine_005378; 4-Hydroxycinnamic acid; CHEBI:32374; NSC674321; AIDS-027710; 2-Propenoic acid, 3-(4-hydroxyphenyl)-, (E)- (9CI); NSC59260; p-coumarate; (E)-3-(4-hydroxyphenyl)-2-propenoate; C9008_SIGMA; 3-(4-Hydroxyphenyl)-2-propenoic acid; 3-(4-hydroxyphenyl)prop-2-enoic acid; 4-coumarate; NSC 59260 | C9H8O3 | 164.158 | c1([H])c([H])c(O[H])c([H])c([H])c1\C([H])=C([H])\C(=O)O[H] |
| 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 | ||
| TCMBANKIN046193 | guvacoline | AKOS006326662; BDBM50024984; 3-(Methoxycarbonyl)-1,2,5,6-tetrahydropyridine; 1,2,5,6-Tetrahydro-pyridine-3-carboxylic acid methyl ester; AC1Q5YLM; methyl 1,2,5,6-tetrahydropyridine-3-carboxylate; AK327408; DTXSID20197805; Guvacoline; Methyl 1,2,5,6-tetrahydro-3-pyridinecarboxylate; UNII-YT3OF85P98; AC1L4NPV; Nicotinic acid, 1,2,5,6-tetrahydro-, methyl ester; 3-Pyridinecarboxylicacid, 1,2,5,6-tetrahydro-, methyl ester; FT-0626846; Methyl 1,2,5,6-tetrahydronicotinate; ZINC3638105; C16821; 495-19-2; Norarecoline; CHEBI:80754; YT3OF85P98; 1,2,5,6-Tetrahydro-pyridine-3-carboxylic acid methyl ester(norarecoline); Guvacine methyl ester; SCHEMBL3019132; 1,2,5,6-tetrahydropyridine-3-carboxylic acid methyl ester; methyl 1,2,3,6-tetrahydropyridine-5-carboxylate; DYPLDWLIOGXSSE-UHFFFAOYSA-N; CHEMBL268808; FT-0626845; CTK4J1347; AJ-45185; 3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-, methyl ester | C7H11NO2 | 141.17 | COC(=O)C1=CCCNC1 |
| TCMBANKIN046249 | camphene | CHEMBL506889; CJ-04639; (-)-camphene; (-)-Camphene, technical grade, 75% (90% as camphene and fenchene); L-Camphene; DSSTox_RID_81702; (1S,4R)-2,2-dimethyl-3-methylenebicyclo[2.2.1]heptane; Bicyclo(2.2.1)heptane, 2,2-dimethyl-3-methylene-, (1S)-; (1S)-2,2-Dimethyl-3-methylenebicyclo(2.2.1)heptane; DSSTox_CID_26538; FCH1121419; (1S,4R)-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane; 5794/4/7; C06305; (-) camphene; ZB015525; CC-00037; M5YAV509FN; UNII-G3VG94Z26E component CRPUJAZIXJMDBK-BDAKNGLRSA-N; DTXSID3046538; ZINC968230; CHEBI:89; (1S,4R)-camphene; (-)-Comphene; cam phene; DSSTox_GSID_46538; NCGC00166100-01; (-)-(1S,4R)-camphene; Bicyclo(2.2.1)heptane, 2,2-dimethyl-3-methylene-, (1S,4R)-; CAS-5794-04-7; EINECS 227-337-8; UNII-M5YAV509FN; CRPUJAZIXJMDBK-BDAKNGLRSA-N; (1S)-2,2-Dimethyl-3-methylenebicyclo[2.2.1]heptane; Tox21_112314 | C10H16 | 136.23 g/mol | CC1(C2CCC(C2)C1=C)C |
| TCMBANKIN047202 | Campherenol | NCGC00385952-01_C15H26O_1,7-Dimethyl-7-(4-methyl-3-penten-1-yl)bicyclo[2.2.1]heptan-2-ol; 4,7-dimethyl-7-(4-methylpent-3-enyl)bicyclo[2.2.1]heptan-3-ol; campherenol; MCULE-1605960082; AC1NSTBN | C15H26O | 222.37 | CC(=CCCC1(C2CCC1(C(C2)O)C)C)C |
| TCMBANKIN047528 | Apigenin-7-O-rutinoside | 578.5 g/mol | |||
| TCMBANKIN048149 | β-Sesquiphellandrene | beta-sesqui-phellandrene; b-sesquiphellandrene; beta-sesquiphellandrene; beta-Sesquiphellandrene; β- sesquiphellandrene; beta-sesquiphellandrene ; β-sesqui-phellandrene | 204.35 | ||
| TCMBANKIN057975 | lysine acid | C6H14N2O2 | 146.19 g/mol | C(CCN)CC(C(=O)O)N | |
| TCMBANKIN058025 | styrene | 105270-05-1; cinnamene; phenyl-ethylene; 61584-90-5; C19506; PPBRXRYQALVLMV-UHFFFAOYSA-N; 81415_FLUKA; 5487-EP2277945A1; MFCD00084450; CJ-04646; 52932-49-7; Benzene, ethenyl-, homopolymer; 20215_SUPELCO; Polystyrene, atactic; InChI=1/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H; S4972_SIAL; 81413_FLUKA; 51609-87-1; Styrene, analytical standard; AKOS000119972; Polystyrene standard, M.W. 1,300, Mw/Mn 1.06; 182435_ALDRICH; viny lbenzol; Chromosorb 102,100/120 50G; S0651; 9055-91-8; Polystyrene latex microsphere, 0.05 micron, 2.5 wt% dispersion in water; 189596_ALDRICH; 61584-89-2; 37291-EP2311803A1; Polysorb; 379514_ALDRICH; 00945_FLUKA; 79637-11-9; 5487-EP2269995A1; 5487-EP2295426A1; Cinnamene; 172641-48-4; 730985-59-8; NCGC00091056-01; 5487-EP2309584A1; CCRIS 564; 81406_FLUKA; AI3-24374; 81412_FLUKA; 117294-EP2287158A1; 78354-47-9; 1191987-17-3; 110866-50-7; W323306_ALDRICH; Benzene, ethenyl-, homopolymer, hydrogenated; Polystyrene standard, M.W. 2,200, Mw/Mn 1.06; UN 2055 (Salt/Mix); 149212-19-1; 100-42-5; Vinylbenzene, inhibited; Cinnamenol; 1263545-74-9; 5487-EP2305686A1; Styrene 5000 ng/microl in Methanol; Ethenylbenzene; 373601-20-8; Polystyrene latex microsphere, 1 micron, 2.5 wt% dispersion in water; Phenethylene; FT-0689054; Polystyrene standard, M.W. 13,000, Mw/Mn 1.06; Styrene, SAJ first grade, >=99.0%; Styrol [German]; Polystyrene latex microsphere, fluorescent, 6.0 micron, 2.5 wt% dispersion in water; 58033-91-3; Styren; CHEBI:27452; MALDI validation set polystyrene Mp 500-70'000 certified according to DIN; 5487-EP2295415A1; Styrene Resin (Med.M.Wt.); Polystyrene latex microsphere, 10.0 micron, 2.5 wt% dispersion in water; 327808_ALDRICH; Chromosorb 106, 60/80 MESH, 50GM; 171022-09-6; Styrene polymer; 461733_ALDRICH; 03565_FLUKA; Styren [Czech]; 851588-70-0; NCGC00091056-03; Polystyrene standard, M.W. 30,000, Mw/Mn 1.06; DTXSID2021284; 00928_FLUKA; 5487-EP2298313A1; Polystyrene high Mol. Wt.; 40494-15-3; 5487-EP2275418A1; Styropor (Salt/Mix); RP18837; 55465-00-4; 5487-EP2287168A2; 12770-88-6; 81418_FLUKA; Styrene, 99.5% stab. with 4-tert-Butylcatechol; 81402_FLUKA; 131495-39-1; 5487-EP2270113A1; 11120-46-0; KSC176E4F; 81834-12-0; Polystyrene (100-200 mesh, PEG crosslinked); PhCH=CH2; Styropol (Salt/Mix); 327794_ALDRICH; Styrene 100 microg/mL in Methanol; Vinylbenzol; Styropol SO; Phenylethene; Vinylbenzen [Dutch]; 459364_ALDRICH; NSC-62785; Benzene, ethenyl-; Styron; Cinnaminol; 5487-EP2289883A1; Styrene solution; CHEMBL285235; 1161074-30-1; Chromosorb 103; Stirolo [Italian]; Benzene-1,2,3,4,5-d5, 6-(ethenyl-1,2,2-d3)-; 53112-49-5; 5487-EP2289896A1; EINECS 273-493-5; Tox21_200808; Polystyrene latex microsphere, 2 micron, 2.5 wt% dispersion in water; 81407_FLUKA; 5487-EP2305685A1; Styrene monomer, inhibited; Vinyl benzene; 157929-02-7; Polystyrene latex microsphere, 20.0 micron, 2.5 wt% dispersion in water; 54596-41-7; 20202_SUPELCO; Ethylene, phenyl-; 5487-EP2280014A2; Styrene, 99%, stabilized 100ml; 5487-EP2380568A1; NCGC00091056-02; 00953_FLUKA; 1083095-63-9; W550159_ALDRICH; Polystyrene solution; Annamene; Chromosorb 101; 25038-60-2; 2-phenylethenyl; Polystyrene latex microsphere, 4.5 micron, 2.5 wt% dispersion in water; 00949_FLUKA; Polystyrene standard, M.W. 290,000, Mw/Mn 1.06; 68987-41-7; Ethylbenzene alkylate; 143365-EP2292620A2; Styreen; 86090-91-7; 327719_ALDRICH; 219782-52-2; 441772-62-9; 53986-84-8; 5487-EP2380867A1; 487021-46-5; 359762-95-1; Polystyrene latex microsphere, 6.0 micron, 2.5 wt% dispersion in water; KB-60631; 117294-EP2298762A2; 25086-18-4; 53395_FLUKA; 00946_FLUKA; 57657-06-4; 726192-11-6; Tox21_113245; 5487-EP2301924A1; NSC 62785; BIDD:ER0247; 39470-87-6; 143365-EP2287165A2; Polystyrene latex microsphere, 0.20 micron, 2.5 wt% dispersion in water; Polystyrene latex microsphere, 25.0 micron, 2.5 wt% dispersion in water; DSSTox_RID_76057; Phenylethylene, inhibited; 327824_ALDRICH; EC 202-851-5; 1198090-46-8; AC1Q2AAB; Polystyrene latex microsphere, 15.0 micron, 2.5 wt% dispersion in water; 5487-EP2311804A2; Polystyrene,flame retarding and impact resistant; 5487-EP2308832A1; 51876_FLUKA; 68441-35-0; Vinyl-benzene; 60880-98-0; DSSTox_CID_1284; 9044-64-8; Polystyrene standard, M.W. 5,200, Mw/Mn 1.06; STYRENE; NCGC00258362-01; Vinylbenzene; 23065-05-6; 644984-36-1; Polystyrene standard, M.W. 2,000,000, Mw/Mn 1.30; NCI-C02200; 143365-EP2287166A2; c0115; Bulstren K-525-19; 471865-10-8; Polystyrene standard, M.W. 25,000, Mw/Mn 1.06; Polystyrene latex microsphere, 1 micron, 10 wt% dispersion in water; Ethylenated benzene; 54578-24-4; 459410_ALDRICH; Polystyrene standard, M.W. 170,000, Mw/Mn 1.06; 81416_FLUKA; 00952_FLUKA; 00948_FLUKA; 8053AF; 00947_FLUKA; 327743_ALDRICH; Ethenylbenzene, 9CI; Polystyrene med Mol. Wt.; S0095; AN-24550; 5487-EP2311798A1; Styrene polymer-bound; 81401_FLUKA; 5487-EP2314577A1; 124229-31-8; CTK0H6242; Phenylethylene; Polystyrene latex microsphere, 1 micron, dry form; 459402_ALDRICH; Polystrene Standard broad 350'000; 20225_SUPELCO; Styron (Salt/Mix); Polystyrene standard, M.W. 4,000, Mw/Mn 1.06; 81409_FLUKA; 00926_FLUKA; 55128-06-8; Vinyl-polystyrene; Vinylbenzen [Czech]; 00951_FLUKA; 260975-79-9; 98444-30-5; Styrene monomer; Styrolene; 852837-17-3; ZB015538; Polystyrene latex microsphere, 0.50 micron, 2.5 wt% dispersion in water; 5487-EP2284165A1; 120037-99-2; FEMA Number 3234; Diarex hf 77; MCULE-4715354738; 5487-EP2311796A1; 182427_ALDRICH; 172867-64-0; 441147_ALDRICH; 161776-45-0; Styrene monomer, inhibited [UN2055] [Flammable liquid]; 45993_RIEDEL; 327786_ALDRICH; KS-00000VQV; 459372_ALDRICH; 327816_ALDRICH; Polystyrene latex microsphere, 75.0 micron, 2.5 wt% dispersion in water; Styreen [Dutch]; 81417_FLUKA; Polystyrene latex microsphere, 0.10 micron, 2.5 wt% dispersion in water; Styrene (monomer); Polystyrene standard, M.W. 123,000, Mw/Mn 1.08; 5487-EP2272849A1; Polystyrene standard, M.W. 900,000, Mw/Mn 1.10; 81403_FLUKA; TRA0031624; Polystyrene standard, M.W. 65,000, Mw/Mn 1.06; 5487-EP2298743A1; 155197-45-8; 63849-49-0; NCGC00091056-04; 81411_FLUKA; 81404_FLUKA; Polystyrene standard, MW ~ 1,300, MW/MN = 1.06 1g; 5487-EP2272832A1; Polystyrene standard, M.W. 3,350, Mw/Mn 1.10; 459461_ALDRICH; 360046-70-4; ZINC112958499; I01-4405; 9003-53-6; 47745U_SUPELCO; Benzene, ethylenated; Styrol (German); Diarex hf 77 (Salt/Mix); 5487-EP2295438A1; ethenyl-benzene; 117294-EP2275408A1; Polystyrene, minimum number average molecular weight (in amu), 50,000; 37291-EP2311802A1; Polystyrene standard, M.W. 400,000, Mw/Mn 1.06; 20217_SUPELCO; 5487-EP2308857A1; 40257U_SUPELCO; 12627-11-1; UNII-44LJ2U959V; ANW-14280; ZINC968269; 1160710-79-1; C07083; Styrene solution, certified reference material, 200 mug/mL in methanol; 1227265-55-5; 53397_FLUKA; 330353_ALDRICH; 171022-02-9; POLYSTYRENE; Styrol; 459399_ALDRICH; Styrole; Stirolo; Polystrene Standard 88'000; Polystrene Standard broad 206'000; HSDB 171; Chromosorb 106; 327778_ALDRICH; Styropor; RT-000109; 327751_ALDRICH; 5487-EP2292593A2; LS-304; 459380_ALDRICH; 5487-EP2270101A1; 5487-EP2311797A1; 81419_FLUKA; 44LJ2U959V; 5487-EP2314579A1; 5487-EP2298753A1; p-vinyl benzene; 327727_ALDRICH; CAS-100-42-5; A800199; 60328-46-3; AC1L1OWJ; FT-0659991; 5487-EP2311799A1; NSC62785; 81410_FLUKA; MolPort-001-779-766; EINECS 202-851-5; Polystyrene latex microsphere, 2 micron, 10 wt% dispersion in water; Polystyrene standard, M.W. 2,000, Mw/Mn 1.10; FEMA No. 3233; 459356_ALDRICH; BP-13451; 56451-72-0; 81414_FLUKA; Styrene, >=99%; 81408_FLUKA; Cinnamol; Polystyrene latex microsphere, 45.0 micron, 2.5 wt% dispersion in water; Styrene monomer, inhibited [UN2055] [Flammable liquid]; Styropol; 00954_FLUKA; Z966690906; Polystyrene standard, M.W. 50,000, Mw/Mn 1.06; Benzene-d5, ethenyl-d3-; STL283958; 137262-45-4; 331651_ALDRICH; 450383_ALDRICH; 120534-26-1; CARINE; Chromosorb 103,80/100,50G; 5487-EP2305668A1; Benzene, vinyl-; 144637-93-4; 5487-EP2308865A1; 56748-62-0; 5487-EP2295427A1; 124229-48-7; 330345_ALDRICH; MFCD00008612; WLN: 1U1R; NCGC00091056-05; 5487-EP2272935A1; 60120-16-3; 1187742-34-2; Styrene, ReagentPlus(R), 99.9%; UN2055; Polystyrene latex microsphere, 0.75 micron, 2.5 wt% dispersion in water; Chromosorb 102; Vinylbenzen; DSSTox_GSID_21284; F1908-0130; 157243-21-5; 430102_ALDRICH; Styrene; 5487-EP2295420A1; Polystyrene, hydrogenated; Styrene, ReagentPlus(R), contains 4-tert-butylcatechol as stabilizer, >=99%; Polystyrene latex microsphere, 90.0 micron, 2.5 wt% dispersion in water; Polystyrene standard, M.W. 650,000, Mw/Mn 1.06; Styrene-divinylbenzene Copolymer; SC-75569; 48347_SUPELCO | C8H8 | 104.15 g/mol | C=CC1=CC=CC=C1 |
| TCMBANKIN058114 | trans-caffeic acid | 3-(3,4-dihydroxy-phenyl)-acrylic acid; caffeic acid; Caffeate; Lopac-C-0625; 71693-97-5; DivK1c_006624; KBio2_007302; (Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; NCGC00015206-02; CAS-3331-39-5; 60020_FLUKA; AI3-63211; 3-(3,4-Dihydroxyphenyl)-2-propenoic acid polymer; (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; NSC623438; 4-(2'-Carboxyvinyl)-1,2-dihydroxybenzene; KBio2_004734; (2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; CHEMBL1320034; AIDS-002287; AIDS002287; 501-16-6; CHEBI:36281; Prestwick1_000902; KBio1_001568; 3-(3,4-Dihydroxyphenyl)-2-propenoic acid; AKOS000273846; OR1165; SMR000058214; Spectrum2_001612; 3,4-dihydroxycinnamate; (Z)-3-(3,4-dihydroxyphenyl)acrylic acid; Caffeicacid; KOP; AC1NO658; CCRIS 847; Caffeic acid dehydrogenation homopolymer; SPECTRUM1503987; Spectrum4_001694; SCHEMBL3682144; NCGC00017364-01; NCGC00022654-08; 4-(2-Carboxyethenyl)-1,2-dihydroxybenzene; 78734C5A-1281-44D4-B8A0-A3188AD437E3; cis-Caffeic acid; 3-(3,4-dihydroxyphenyl)acrylic acid; Cinnamic acid, 3,4-dihydroxy-; KBioGR_001988; 3,4-Dihydroxybenzeneacrylic acid; 3,4-dihydroxycinnamic acid; trans-caffeic acid; AIDS-026339; NCGC00015206-01; HSDB 7088; ZINC4482687; (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; 3-(3,4-dihydroxyphenyl)prop-2-enoate; Isocaffeic acid; SBB006475; InChI=1/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2; NCGC00017364-02; EU-0100208; C01197; MolPort-001-759-162; KBioSS_002166; Caffeic acid pure; caffeic acid ; trans-Caffeate; (2E)-3-(3,4-dihydroxyphenyl)acrylic acid; NSC 57197; (2E)-3-(3,4-Dihydroxyphenyl)-2-propenoic acid; Spectrum_001686; 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, (E)-; KBio2_002166; Caffeic acid, cis-; 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-; 3,4-Dihydroxybenzeneacrylate; 3-(3,4-Dihydroxy phenyl)-2-propenoic acid; 4361-87-9; 3,4-Dihydroxy-trans-cinnamate; caffeicacid; AR-360/40806927; EINECS 206-361-2; 60018_FLUKA; Caffeic acid polymer; (E)-3-(3,4-dihydroxyphenyl)acrylic acid; NCGC00022654-04; ZX-AL002121; C0625_SIGMA; SDCCGMLS-0002982.P003; 3-(3,4-Dihydroxyphenyl)-2-propenoic acid, homopolymer; SPBio_001643; 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)- (9CI); NCGC00017364-03; 3-(3,4-dihydroxyphenyl)prop-2-enoic acid; AC1LU7RL; SPBio_002943; CHEBI:16433; AIDS026339; 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, homopolymer; CHEBI:17395; TNP00311; SpecPlus_000528; Prestwick0_000902; MLS000069738; 3,4-dihydroxy-cinnamic acid; 3-(3,4-Dihydroxyphenyl)propenoic acid; NCI60_004400; NSC57197; Caffeic; Lopac-C-0625; NCGC00015206-01; Caffeic acid; cis-Caffeic acid; NCGC00017364-01; (Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; C01481; 331-39-5; NCGC00015206-02; CAS-3331-39-5; 3,4-Dihydroxycinnamic acid; CHEBI:17395; (2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; TNP00311; (Z)-3-(3,4-dihydroxyphenyl)acrylic acid; Caffeate; 1- coffee acid | C9H8O4 | 180.16 g/mol | C1=CC(=C(C=C1C=CC(=O)O)O)O |
| TCMBANKIN058145 | cinaroside | Luteoloside; Glucoluteolin; Flavopurposide; ST2407074; HY-N0540; 4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-7-(b-D-glucopyranosyloxy)-5-hydroxy-; MFCD06799436; Luteolin-7-O-glucoside; Galuteolin; Luteolin monoglucoside; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-(.beta.-D-glucopyranosyloxy)-5-hydroxy-; AX8061581; 4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-7-(; Luteolin 7-glucoside, analytical standard; MCULE-8191036162; TR-019005; AC1NQXCE; SCHEMBL149118; luteolin glucoside; Luteolin 7-monoglucoside; SMR000232358; 5373/11/5; AC-6054; HMS2224O21; N1724; AK-25217; C03951; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-; Luteolin 7-.beta.-D-glucoside; Luteolin 7-glucoside, primary pharmaceutical reference standard; Luteolin 7-O-D-glucoside; 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one; SC-46564; ZX-AFC003073; Luteolin 7-O-glucoside; BG01739210; REGID_for_CID_5280637; SR-01000867987-2; CC-30093; MLS002473222; Luteolin 7-O-Glucoside, United States Pharmacopeia (USP) Reference Standard; 98J6XDS46I; Luteolin 7-glucoside; A-D-glucoside; Daphneflavonoloside; CHEMBL233929; N2724; 2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside; 7-(beta-D-glucopyranosyloxy)-5-hydroxy-2-(3,4-dihydroxyphenyl)-4H-chromen-4-one; V1543; Bio-0221; API0003232; 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one; PEFNSGRTCBGNAN-QNDFHXLGSA-N; AKOS015903261; 7-Glucosylluteolin; Flavone, 3',4',5,7-tetrahydroxy-, mono-beta-D-glucopyranoside; LS-39606; AJ-47986; I14-19110; Luteolin 7-O-beta-D-glucoside, >=98.0% (HPLC); Luteolin 7-O-glucopyranoside; 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one; Cinaroside; 7-Glucoluteolin; lCynaroside; EINECS 226-365-8; MolPort-001-740-780; BDBM50241242; 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-, mono-beta-D-glucopyranoside; Flavon, 3',4',5,7-tetrahydroxy-, glucoside; Luteolin-7-D-glucopyranoside; KB-290714; Luteolin, glucoside; SR-01000867987; UNII-98J6XDS46I; Luteolin-7-O-D-glucopyranoside; A-D-glucopyranosyloxy)-5-hydroxy-; REGID_for_CID_657946; 2-(3,4-Dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl hexopyranoside #; Luteolin-7-glucoside; Luteolin 7-b-glucoside; ZINC4096258; Luteolin 7-.beta.-D-glucopyranoside; Luteolin 7-O-; SR-01000867987-3; KS-00001FIQ; CS-5712; luteolin-7-O-beta-glucoside; NCGC00163589-01; 2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one; 26811-41-6; 7-O-beta-D-Glucosyl-5,7,3',4'-tetrahydroxyflavone; BIDF1013; Luteolin 7-O-beta-D-glucoside; cid_5280637; C-22456; Cynaroside; MEGxp0_000619; CHEBI:27994; 373L115;Luteollin 5-glucoside; Luteolin-5-O-b-D-glucopyranoside; MolPort-020-005-904; BG01739205; 2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one; FT-0697969; 2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone; Galuteolin; 2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-chromenone; ST24047512; AIDS-219925; AX8245774; Luteolin 5-glucoside; 2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one; 20344-46-1; 0422AB; 2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one; AK120358; ZINC33831307; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5-(beta-D-glucopyranosyloxy)-7-hydroxy-; BG01154730; Luteolin-5-O-glucopyranoside; AC1NSVN1; Q-100249; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5-(.beta.-D-glucopyranosyloxy)-7-hydroxy-; AKOS016010674; Luteolin-5-O-beta-D-glucoside; luteolin-5-o-beta-d-glucopyranoside; 2-(3,4-DIHYDROXYPHENYL)-7-HYDROXY-5-{[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}CHROMEN-4-ONE; 569-89-1; AIDS219925; AJ-86337; SCHEMBL242602;luteolin-7-O-β-D-glucoside; luteolin-7-O-β-D-Glucoside; Luteolin-7-O-β-D-glucoside;luteolin-7-O-glucoside; Luteolin-7-glucosid; 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-; AKOS001483348; AKOS021983229; 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone; 2-(3,4-DIHYDROXYPHENYL)-5-HYDROXY-7-{[3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}CHROMEN-4-ONE; Glucoluteolin; NCI60_035927; Luteolin-7-glucoside; Luteoloside; Luteolin 7-O-D-glucoside; 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-chromenone; Luteolin-7-O-glucoside; 7-Glucosylluteolin; NCGC00017208-02; AC1NRHCY; 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one; 68321-11-9; NSC700145; Luteolin monoglucoside; Flavone, 3',4',5,7-tetrahydroxy-, mono-beta-D-glucopyranoside; 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)(2H-3,4 ,5,6-tetrahydropyran-2-yloxy)]chromen-4-one; NSC-724451; STOCK1N-08497; Luteolin-7-o- glucoside; Luteolin 7-O-glucoside; 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one; SCHEMBL19523005; A2306/0097227; NCGC00163589-01; Luteolin-7-O-.beta.-D-glucopyranoside; 2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one; NSC-700145; MolPort-002-708-422; 26811-41-6; 7-O-beta-D-Glucosyl-5,7,3',4'-tetrahydroxyflavone; Luteolin 7-O-glucopyranoside; Cinaroside; SCHEMBL149119; ST024704; 2-(3,4-Dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl hexopyranoside; NSC724451; 2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-(4,5,6-trihydroxy-3-(hydroxymethyl)(2-oxanyloxy))-4H-chromen-4-one; Luteolin 7-O-beta-D-glucoside; AIDS070478; 7-Glucoluteolin; EINECS 226-365-8; 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one; Luteolin 7-monoglucoside; luteolin-7-o-glucoside ; Luteolin 7-glucoside; Luteolin 7-galactoside; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-, mono-beta-D-glucopyranoside; AIDS-070478; MEGxp0_000562; NCGC00142376-01; 2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside; 7-(beta-D-glucopyranosyloxy)-5-hydroxy-2-(3,4-dihydroxyphenyl)-4H-chromen-4-one; MEGxp0_000619; Flavon, 3',4',5,7-tetrahydroxy-, glucoside; Cynaroside; CHEBI:27994; MCULE-8064140924; Luteolin, glucoside; C03951; STK763169; 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one;Luteolin-7-Glucoside; luteolin-7-glucoside ; luteolin-7-glucoside;luteoloside;galuteolin;cynaroside | C21H20O11 | 448.4 g/mol | C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O |
| TCMBANKIN058221 | apigenin | 520-36-5; Spectrum2_000428; 10798_FLUKA; Biochem Biophys Res Comm 212: 767 (1997); CCRIS 3789; AIDS001401; apigenin-7-olate; KBioGR_002565; KBio3_002887; BSPBio_000368; 5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one; HSCI1_000221; Flavone, 4',5,7-trihydroxy-; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-; EINECS 208-292-3; A3145_SIGMA; 7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-1-benzopyran-5-olate; CHEBI:18388; IDI1_000798; NCGC00025057-04; AIDS-001401; NSC 83244; BPBio1_000406; Apigenol; 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-chromenone; NINDS_000798; NCGC00015049-02; 4′,5,7-Trihydroxyflavone; SPBio_002307; Prestwick_719; 2-(4-hydroxyphenyl)-7-oxidanyl-4-oxidanylidene-chromen-5-olate; Spectrum4_001999; Chamomile; KBio1_000798; BRN 0262620; Prestwick2_000414; Prestwick3_000414; SDCCGMLS-0066379.P001; CHEBI:58470; 5,7, 4'-trihydroxyflavone; NCGC00025057-02; 2-(p-Hydroxyphenyl)-5,7-dihydroxychromone; 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; APIGENIN; Lopac0_000065; K00045; 4′,5,7-Trihydroxyflavone; 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-benzopyrone; NCGC00025057-09; 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one; ACon1_002450; Oprea1_622293; EU-0100065; nchembio790-comp26; 4',5,7-Trihydroxyflavone; NCGC00025057-08; ND-9076; NCGC00025057-01; MEGxp0_000176; Apigenin; 4',5,7-Trihydroxyflavone; apigenin ; Prestwick1_000414; NCGC00015049-01; ZINC00004495; NCGC00025057-05; Spectrum3_001882; BiomolKI_000078; NCI60_041830; Bio1_001354; ghl.PD_Mitscher_leg0.1194; SPECTRUM200846; A828903; DivK1c_000798; 5-18-04-00574 (Beilstein Handbook Reference); 5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-olate; C.I. Natural Yellow 1; 461015-54-3; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)- (9CI); 5,7-dihydroxy-2-(4-hydroxyphenyl)chromone; SMP2_000338; BiomolKI2_000082; Prestwick0_000414; Tocris-1227; Lopac-A-3145; Bio1_000865; NSC83244; Versulin; Pelargidenon 1449; Bio1_000376; Spigenin; 5,7,4'-Trihydroxyflavone; ST056301; UCCF 031; SPBio_000416; Apigenine; C01477; CAS-520-36-5; BSPBio_003384 | C15H10O5 | 270.24 | C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O |
| TCMBANKIN058293 | BOX | FEMA No. 2131; Benzenemethanoic acid; Retardex; Caswell No. 081; LS-280; Benzeneformic acid; benzoic acid; 1863-63-4 (AMMONIUM SALT); E 210; 65-85-0; 109479_SIAL; benzenecarboxylic acid; Benzoic acid (TN); NSC7918 (AMMONIUM SALT); AI3-03710; WLN: QVR; BEZ; 582-25-2 (POTASSIUM SALT); Kyselina benzoova; 33047_RIEDEL; C00180; Flowers of benzoin; HSDB 704; W213128_ALDRICH; ST5213864; nchembio.2007.22-comp2; C03096; D00038; B8027_SIGMA; Kyselina benzoova [Czech]; InChI=1/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9; EPA Pesticide Chemical Code 009101; Benzoesaeure [German]; Benzoesaeure; 18102_RIEDEL; Benzoic acid [USAN:JAN]; W213101_ALDRICH; 8013-63-6; Dracylic acid; Unisept BZA; AIDS-018010; phenylformic acid; Benzoic acid (JP15/USP); 47849_SUPELCO; Retarder BA; Aromatic hydroxy acid; B2670_SIGMA; CHEBI:30746; B2920_SIGMA; Mettler Toledo Calibration substance ME 18555, Benzoic acid; CCRIS 1893; Benzoesaeure GV; Acido benzoico [Italian]; Benzoic acid (natural); NSC149; Benzoic acid-ring-UL-14C; Benzoesaeure GK; Acide benzoique; Flowers of benjamin; Benzoic acid, tech.; AI3-0310; HA 1 (acid); Salvo liquid; Acide benzoique [French]; 12353_FLUKA; Tenn-Plas; Carboxybenzene; 242381_SIAL; Salvo, liquid; AIDS018010; Phenylcarboxylic acid; NCGC00091886-01; Solvo powder; 427608_ALDRICH; Benzoic acid (7CI,8CI,9CI); 33045_RIEDEL; HA 1; 73983_FLUKA; Solvo, powder; Benzoate (VAN); NSC 149; EINECS 200-618-2;benzenecarboxylic acid | C7H6O2 | 122.12 | C1=CC=C(C=C1)C(=O)O |
| TCMBANKIN058410 | Azulen | InChI=1/C10H8/c1-2-5-9-7-4-8-10(9)6-3-1/h1-8; 82R6M9MGLP; 275-51-4; AC1L1SM7; MFCD00003810; AZULENE, M.P. 99 C; ST5411971;azulene; ACMC-209gy0; Cyclopentacycloheptene; A97203_ALDRICH; FCH1115647; 37879_RIEDEL; ZINC1570209; CHEBI:31249; DB-047243; UNII-82R6M9MGLP; TR-012336; A0634; SC-47564; NSC 89248; Bicyclo(5.3.0)-deca-2,4,6,8,10-pentaene; Azulene (JAN); DTXSID2059770; AN-5880; CC-24235; Bicyclo(0.3.5)deca-1,3,5,7,9-pentaene; Bicyclo(5.3.0)-1,3,5,7,9-decapentaene; labotest-bb lt00007822; azulene radical cation; Azulene cation radical; C-30055; SR-01000944574-1; AKOS015840881; D09768; ANW-26230; LS-23565; CS-0006517; bicyclo(5.3.0)-deca-1,3,5,7,9-pentaene; SR-01000944574; CHEMBL3272628; EINECS 205-993-6; S14-1306; Bicyclo(5.3.0)decapentaene; MCULE-9439882903; Azulene, standard for GC, >=99.0% (GC); CUFNKYGDVFVPHO-UHFFFAOYSA-N; ST50411971; S14-2908; cyclopentacyclohepten; Azunamic; LS40101; Bicyclo[5.3.0]-1,5,7,9-decapentaene; A819116; J-016811; NSC-89248; Azusalen [as sodium sulfonate]; NSC89248; Azulene, analytical standard; C13392; SBB056611; PubChem6349; CTK1A3397; KB-47493; Bicyclo[5.3.0]-1,3,5,7,9-decapentaene; azulene; Bicyclo[5.3.0]decapentaene; CJ-24708; Azulekeep; 11650_FLUKA; Azulene, 99%; FT-0622537; API0001577; azulen; CL22917; AZULENE | C10H8 | 128.17 g/mol | C1=CC=C2C=CC=C2C=C1 |
| TCMBANKIN058505 | procyanidin c1 | (2R,3R,4S)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychroman-8-yl]-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychroman-4-yl]chroman-3,5,7-triol; AIDS-082361; (4,8':4',8''-Ter-2H-1-benzopyran)-3,3',3'',5,5',5'',7,7',7''-nonol, 2,2',2''-tris(3,4-dihydroxyphenyl)-3,3',3'',4,4',4''-hexahydro-, stereoisomer; (2R,3R,4S)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-chromanyl]-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-chromanyl]chroman-3,5,7-triol; (2R,3R,4S)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chroman-8-yl]-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chroman-4-yl]chroman-3,5,7-triol; Procyanidin C1; AIDS082361; Proanthocyanidin C1; Epicatechin-(4.beta.-->8)epicatechin-(4.beta.-->8)epicatechin; 37064-30-5;arecatannin a1;cinnamtannin a1;Procyanidol C1;CHEMBL290632; LS-148706; ACN-053267; (2R,2'R,2''R,3R,3'R,3''R,4R,4'S)-2,2',2''-Tris(3,4-dihydroxyphenyl)-[4,8':4',8''-terchroman]-3,3',3'',5,5',5'',7,7',7''-nonaol; epicatechin-(4beta-8)-epicatechin-(4beta-8)-epicatechin; (2R,3R,4S)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chroman-8-yl]-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chroman-4-yl]chromane-3,5,7-triol; Procyanidin C-1; AKOS027321198; C17624; SCHEMBL678609; Cinnamtannin A1; Procyanidin C1; (2R,3R,4S)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol; AC1L54JP; Epicatechin-(4.beta.-->8)epicatechin-(4.beta.-->8)epicatechin; BDBM50240460; EC-(4b,8)-EC-(4b,8)-EC; CHEBI:75643; CTK4H7642; UNII-33516LCW4F; 33516LCW4F; [4,8':4',8''-Ter-2H-1-benzopyran]-3,3',3'',5,5',5'',7,7',7''-nonol,2,2',2''-tris(3,4-dihydroxyphenyl)-3,3',3'',4,4',4''-hexahydro-,(2R,2'R,2''R,3R,3'R,3''R,4R,4'S)-; Proanthocyanidin C1; AK310893; 37064-30-5; (2r,2'r,2''r,3r,3'r,3''r,4r,4's)-2,2',2''-tris(3,4-dihydroxyphenyl)-3,3',3'',4,4',4''-hexahydro-2h,2'h,2''h-4,8':4',8''-terchromene-3,3',3'',5,5',5'',7,7',7''-nonol; (4,8':4',8''-Ter-2H-1-benzopyran)-3,3',3'',5,5',5'',7,7',7''-nonol, 2,2',2''-tris(3,4-dihydroxyphenyl)-3,3',3'',4,4',4''-hexahydro-, stereoisomer; [Epicatechin(4b->8)]2-epicatechin; [Epicatechin-(4beta->8)]2-epicatechin; DTXSID10190562; Procyanidol C1; ZINC96095372; Procyanidin trimer C1; AC1Q7ABT; (2R,3R,4S)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol; (2R,3R,4R,2''R,3''R,4''S,2''''R,3''''R)-2,2'',2''''-Tris-(3,4-dihydroxy-phenyl)-3,4,3'',4'',3'''',4''''-hexahydro-2H,2''H,2''''H-[4,8'';4'',8'''']terchromene-3,5,7,3'',5'',7'',3'''',5'''',7''''-nonaol; Epicatechin-(4beta->8)-epicatechin-(4beta->8)-epicatechin | C45H38O18 | 866.8 g/mol | C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=C(C(=CC(=C34)O)O)C5C(C(OC6=CC(=CC(=C56)O)O)C7=CC(=C(C=C7)O)O)O)C8=CC(=C(C=C8)O)O)O)O)O)C9=CC(=C(C=C9)O)O)O |
| TCMBANKIN058511 | proanthocyanidin b2 | 29106-49-8; AC1L3V5O; EC-(4b,8)-EC; SC-83395; Procyanidol B2; (+)-Procyanidin B2; CS-5982; (2R,2'R,3R,3'R,4R)-2,2'-bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-2H,2'H-4,8'-bichromene-3,3',5,5',7,7'-hexol; AK554017; (2R,3R)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol; Procyanidin dimer B2; (-)-Epicatechin-(4.beta.-8)-(-)-epicatechin; X1213; XFZJEEAOWLFHDH-NFJBMHMQSA-N; N2517; L88HKE854X; LMPK12030002; 4,8 inverted exclamation marka-Bi-[(+)-epicatechin]; NSC 623097; Procyanidin B2; cis,cis inverted exclamation marka-4,8 inverted exclamation marka-Bi(3,3 inverted exclamation marka,4 inverted exclamation marka,5,7-pentahydroxyflavane); Procyanidin B-2; Ambap29106-49-8; [4,8'-Bi-2H-1-benzopyran]-3,3',5,5',7,7'-hexol,2,2'-bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-, (2R,2'R,3R,3'R,4R)-; C17639; J-017393; Proanthocyanidin B2; ZINC26490614; Procyanidin B2, analytical standard; cis,cis""-4,8""-Bi(3,3',4',5,7-pentahydroxyflavane); (4,8'-Bi-2H-1-benzopyran)-3,3',5,5',7,7'-hexol, 2,2'-bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-, (2R-(2alpha,3alpha,4beta(2'R*,3'R*)))-; CHEMBL38714; Epicathechin-(4beta->8)-epicathechin; (2R-(2alpha,3alpha,4beta(2'R*,3'R*)))-2,2'-Bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-(4,8'-Bi-2H-1-benzopyran)-3,3',5,5',7,7'-hexol; FT-0686683; SCHEMBL288579; 2,3-cis-proanthocyanidin; C30H26O12; AC1Q7ABR; MFCD01861513; UNII-L88HKE854X; AKOS008901339; MolPort-003-932-480; CHEBI:75632; HY-N0796; (2R,3R,4R)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chroman-8-yl]chromane-3,5,7-triol; [4,8'-Bi-2H-1-benzopyran]-3,3',5,5',7,7'-hexol, 2,2'-bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-, (2R,2'R,3R,3'R,4R)-; X1212; EBD2184995; Procyanidin-B2; (2r,2'r,3r,3'r,4r)-2,2'-bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-2h,2'h-4,8'-bichromen-3,3',5,5',7,7'-hexol; Epicatechin(4b->8)catechin; SCHEMBL676745; (4,8-Bi-2H-1-benzopyran)-3,3',5,5',7,7'-hexol, 2,2'-bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-; (2R,3R,4R)-2-(3,4-dihydroxyphenyl)-4-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-chromanyl]chroman-3,5,7-triol; Q-100247; Procyanidin dimer B1; 20315-25-7; (2R,2'R,3R,3'S,4R)-2,2'-Bis(3,4-dihydroxyphenyl)-[4,8'-bichroman]-3,3',5,5',7,7'-hexaol; AKOS030530133; Epicatechin-(4beta->8)-ent-epicatechin; procyanidin b1; LMPK12030001; Proanthocyanidin B1; (2R,3R,4R)-2-(3,4-dihydroxyphenyl)-4-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychroman-8-yl]chroman-3,5,7-triol; ZINC26490620; EC-(4b,8)-C; HY-N0795; BG01789588; (2R,3R,4R)-2-(3,4-DIHYDROXYPHENYL)-4-[(2R,3S)-2-(3,4-DIHYDROXYPHENYL)-3,5,7-TRIHYDROXY-3,4-DIHYDRO-2H-1-BENZOPYRAN-8-YL]-3,4-DIHYDRO-2H-1-BENZOPYRAN-3,5,7-TRIOL; cis,trans′′-4,8′′-Bi-(3,3′,4′,5,7-Pentahydroxyflavane); Endotelon; CHEBI:75633; (2R,3R,4R)-2-(3,4-dihydroxyphenyl)-4-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chroman-8-yl]chromane-3,5,7-triol; 19542_FLUKA; AK554016; Procyanidol oligomer; CS-5955; UNII-0566J48E7X; Procyanidin-B1; 4,8-Bi-(3,3',4',5,7-Pentahydroxyflavane); Ambap20315-25-7; Epicatechin(4beta->8)catechin; cis,trans''-4,8''-Bi-(3,3',4',5,7-Pentahydroxyflavane); (2R,3R,4R)-2-(3,4-dihydroxyphenyl)-4-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chroman-8-yl]chroman-3,5,7-triol; 0566J48E7X; 2,2'-Bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-(4,8-Bi-2H-1-benzopyran)-3,3',5,5',7,7'-hexol; CHEMBL504937; (2R,2'R,3R,3'S,4R)-2,2'-bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-2H,2'H-4,8'-bichromene-3,3',5,5',7,7'-hexol; XFZJEEAOWLFHDH-UKWJTHFESA-N; Procyanidin B1, analytical standard; MFCD01861512; C30H26O12; V0244; MolPort-003-927-506; cis,trans inverted exclamation marka inverted exclamation marka-4,8 inverted exclamation marka inverted exclamation marka-Bi-(3,3 inverted exclamation marka,4 inverted exclamation marka,5,7-Pentahydroxyflavane); FT-0686682; Procyanidin B; Procyanidin B1; proanthocyanidin b1 | C30H26O12 | 578.5 g/mol | C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O |
| TCMBANKIN058545 | Prunin | CHEBI:28327; LMPK12140237; (2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychroman-4-one; prunin; (2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chroman-4-one; (2S)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl beta-D-glucopyranoside; (2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chroman-4-one; (S)-7-(beta-D-Glucopyranosyloxy)-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; prunin ; Naringenin-7-O-glucoside; SCHEMBL318230; 529-55-5; (2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-chromanone; EINECS 208-464-8; NCGC00163599-01; Naringenin 7-O-beta-D-glucoside; (2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chroman-4-one; NSC 135064; C09099; Naringenin-7-O-β-D- glucoside | C21H22O10 | 434.39 | C1C(OC2=CC(=CC(=C2C1=O)O)OC3C(C(C(C(O3)CO)O)O)O)C4=CC=C(C=C4)O |
| TCMBANKIN058589 | 4-Phenylbicyclo[2,2,2]octan-1-ol | 4-phenylbicyclo[2,2,2]octan-1-ol; 4-phenylbicyclo[2.2.2]octan-1-ol | C14H18O | 202.29 | C1CC2(CCC1(CC2)C3=CC=CC=C3)O |
| TCMBANKIN058613 | trans-Decahydronaphthalene | decahydronaphthalene; decahydro naphthalene; CIS-DECAHYDRONAPHTHALENE; Naphthane | C10H18 | 138.25 g/mol | C1CCC2CCCCC2C1 |
| TCMBANKIN058759 | (R)-Lavandulol | (2R)-2-isopropenyl-5-methylhex-4-en-1-ol; Lavandulol (6CI); 4-Hexen-1-ol, 5-methyl-2-(1-methylethenyl)-, (R)-; 4-Hexen-1-ol, 5-methyl-2-(1-methylethenyl)-, (theta)-; 4-Hexen-1-ol, 2-isopropenyl-5-methyl-, (-)- (8CI); (-)-Lavandulol; (R)-(-)-Lavandulol; lavandulol (-)-2-Isopropenyl-5-methyl-4-hexen-1-ol; (R)-5-Methyl-2-(1-methylethenyl)-4-hexen-1-ol; (2R)-5-methyl-2-prop-1-en-2-ylhex-4-en-1-ol; 498-16-8; 21090-68-6; (2R)-5-methyl-2-prop-1-en-2-yl-hex-4-en-1-ol; (2R)-2-isopropenyl-5-methyl-hex-4-en-1-ol | C10H18O | 154.25 | CC(=CCC(CO)C(=C)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 |
| TCMBANKIN058830 | (Z)-β-farnesene | (z)-beta-farnesene; (Z)-β-Farnesene; (6Z)-7,11-dimethyl-3-methylene-1,6,10-dodecatriene; (6Z)-7,11-dimethyl-3-methylidene-dodeca-1,6,10-triene; beta-cis-farnesene; (Z)-beta-farnesene; (6Z)-7,11-dimethyl-3-methylene-dodeca-1,6,10-triene; beta-(Z)-farnesene; cis-β-Farnesene; (Z)-.beta.-Farnesene; 1,6,10-Dodecatriene, 7,11-dimethyl-3-methylene-, (Z)-; 28973-97-9; CHEBI:39242; (6Z)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene; (6Z)-7,11-dimethyl-3-methylenedodeca-1,6,10-triene; cis-beta-farnesene | C15H24 | 204.35 g/mol | CC(=CCCC(=CCCC(=C)C=C)C)C |
| TCMBANKIN058851 | linalool | Spectrum5_000393; KBioGR_002294; KBio2_003260; KBio2_000692; (3R)-3,7-dimethylocta-1,6-dien-3-ol; W263516_ALDRICH; ZINC01529820;beta-linalool;NSC-3789; AK-50127; (+/-)-3,7-Dimethyl-1,6-octadien-3-ol; ACMC-209pf1; D0X5DC; Linalool Solution, 1000 mg/L, 1 ml (RM, ISO GUIDE 34); Linalool, primary pharmaceutical reference standard; CDOSHBSSFJOMGT-UHFFFAOYSA-N; AC1L1MRY; Howood Oil; 1,6-Octadien-3-ol, 3,7-dimethyl-, (3S)-; KSC377K8J; AC1Q1NVD; KB-179981; (+/-) LINALOOL; NCGC00259207-01; 3,6-dien-3-ol; AI3-00942; HSDB 645; (S)-Linalol; 2,7-Octadien-6-ol, 2,6-dimethyl-; 2,6-Dimethylocta-2,7-dien-6-ol; Linalool ex orange oil; (?)-3,7-Dimethyl-1,6-octadien-3-ol; DB-062552; I14-13929; FT-0614785; FCH1115719; Tox21_201658; 11024-20-7; BB_NC-00123; MolPort-001-783-101; LS-97796; 2,6-Dimethyl-2,7-octadien-6-ol; Linalool (natural); L0048; Linalool; BRN 1721488; 2,7-octadiene-6-ol; DSSTox_RID_77812; 3,7-Dimethyl-1,6-octadien-3-ol; BC207603; STL373777; AC1Q2BP3; FEMA No. 2635; ANW-37211; MCULE-2407576698; 3,6-octadien-3-ol; Natural Linalool; Linalool b; SCHEMBL20316; BBL027734; EINECS 204-811-2; LINALOOL (+); CU-01000013132-2; LINOLOOL (D); ST069326; dl-3,7-Dimethyl-3-hydroxy-1,6-octadiene; NSC 3789; CHEBI:17580; Linalool ex ho oil; Linalool, 97%; (.+/-.)-Linalool; allo-Ocimenol; GTPL2469; CCRIS 6557; ( -)-Linalool; BG00600803; NCGC00257060-01; C03985; EINECS 201-134-4; HMS2268E18; Tox21_303037; Phantol; (+-)-Linalool; SBB012353; SMR000112394; DTXSID7025502; (R)-3,7-Dimethyl-1,6-octadien-3-ol; DL -3,7-Dimethyl-3-hydroxy-1,6-octadiene; BB_NC-0123; NCGC00091688-04; (+/-)-3,7-Dimethyl-3-hydroxy-1,6-octadiene; CHEMBL25306; MLS002152908; WLN: 1Y1&U3XQ1&1U1 -,-; LINALYL ALCOHOL; Q-201306; 0-01-00-00462 (Beilstein Handbook Reference); SC-74998; CAS-78-70-6; (+/-)-linalool; LINALOOL EX BOIS DE ROSE; RTR-030706; NCGC00091688-02; Linalool, analytical standard; MFCD00008906; 1,6-OCTADIEN-3-OL, 3,7-DIMETHYL-, (-)-; Linalool, >=97%, FCC, FG; AC-551; Linolool; NSC3789; Linalool, certified reference material, TraceCERT(R); FEMA Number 2635; AKOS015901617; 3,7-Dimethyl-1, 6-octadien-3-ol; p-Linalool; Linalool ex bois de rose oil; FEMA 2635; DSSTox_CID_5502; .beta.-Linalool; EC 201-134-4; TR-030706; CTK2H7584; LS-1752; KS-00000WLW; 3,7-Dimethylocta-1,6-dien-3-ol; DSSTox_GSID_25502; WLN: 1U1XQ1&3UY1&1; 1,6-Octadien-3-ol, 3,7-dimethyl-; ( )-linalool; CCRIS 3726; Linanool; 78-70-6; NCGC00091688-03; Caswell No. 526A; AN-22986; 2,6-Dimethyl-2,7-octadiene-6-ol; (RS)-Linalool; RP21877; (1)-3,7-Dimethyl-1,6-octadien-3-ol; AN-15757; AC1Q1NVE; LINALOOL, (+-)-; NCGC00091688-01; Linalol; beta-Linalool; EINECS 245-083-6; 22564-99-4; Linalool, .beta.; 2,7-dien-6-ol; EPA Pesticide Chemical Code 128838; 1, 3,7-dimethyl-, (-)-; 3,7-dimethyl-octa-1,6-dien-3-ol;L-linalool;CJ-23937; Spectrum5_000393; LMPR0102010013; AKOS028109218; linalool ; Linalool; 1,6-Octadien-3-ol,3,7-dimethyl-, (3R)-; (R)-3,7-Dimethyl-1,6-octadien-3-ol; AC1L9E4Q; KBioGR_002294; (R)-3,7-dimethylocta-1,6-dien-3-ol; KBio2_003260; Epoxydihydrolinalool; KBio2_000692; (3R)-3,7-dimethylocta-1,6-dien-3-ol; ZINC1529820; Spectrum4_001777; C11388; linalool oxide; 126-91-0; 3U21E3V8I2; KBio3_002285; CCG-38497; CTK8F1408; KBio2_005828; KBioSS_000692; (-)-Linalool; EINECS 204-811-2; (-)-3,7-dimethyl-1,6-octadien-3-ol; LINALOOL (+); (3R)-Linalool; L-LINALOOL, REF. IND.-14<F128><144><F255>; CHEMBL235672; CHEBI:28; SpecPlus_000909; SCHEMBL891312; (-)-Linalool, analytical standard; UNII-3U21E3V8I2; KBio1_001949; J-005448; MolPort-003-666-060; NCGC00095658-01; FT-0772303; BSPBio_002785; SDCCGMLS-0066889.P001; UNII-D81QY6I88E component CDOSHBSSFJOMGT-JTQLQIEISA-N; L-Linalool; 1,6-OCTADIEN-3-OL, 3,7-DIMETHYL-, (-)-; L-Linalool, natural, >=95%, FG; SPBio_002007; Spectrum3_001173; 1,6-Octadien-3-ol, 3,7-dimethyl-, (3R)-; NCGC00095658-02; SPECTRUM1501212; SMP2_000331; (-)-Linalool, >=95.0% (sum of enantiomers, GC); Linalool, (-)-; 3R,7-dimethylocta-1,6-dien-3-ol; DivK1c_007005; (R)-linalool; (R)-(-)-3,7-Dimethyl-1,6-octadien-3-ol; DTXSID40872607; laevo-linalool; MFCD00135469; Spectrum2_001944; I14-45868; (3R)-3,7-dimethyl-1,6-octadien-3-ol; Spectrum_000212; (R)-(-)-Linalool | C10H18O | 154.25 g/mol | CC(=CCCC(C)(C=C)O)C |
| TCMBANKIN059065 | alanine | 3ip5; D09ADQ; [14C]-alanine; D0X1RG; CJ-12185; L-alanine zwitterion; CHEBI:57972; 3f48; [14C]alanine; (2S)-2-azaniumylpropanoate; [3H]alanine; (2S)-2-ammoniopropanoate; AC1OIZQD; [3H]-alanine;DAL | C3H7NO2 | 89.09 g/mol | CC(C(=O)O)N |
| TCMBANKIN059130 | Isomeranzin | AIDS-080545; 7-methoxy-8-(3-methyl-2-oxobutyl)chromen-2-one; 7-methoxy-8-(3-methyl-2-oxo-butyl)chromen-2-one; isomeranzin; Isomeramazin; 2H-1-Benzopyran-2-one, 7-methoxy, 8-(2-oxoisopentyl); AIDS080545; 7-methoxy-8-(3-methyl-2-oxobutyl)-2-chromenone; 7-Methoxy-8-(3-methyl-2-oxobutyl)-2H-chromen-2-one; 8-(2-keto-3-methyl-butyl)-7-methoxy-coumarin;isomeranzine | C15H16O4 | 260.29 | CC(C)C(=O)CC1=C(C=CC2=C1OC(=O)C=C2)OC |
| TCMBANKIN059137 | valine | C5H11NO2 | 117.15 g/mol | CC(C)C(C(=O)O)N | |
| TCMBANKIN059160 | Isobutyral | 2-Methylpropionaldehyde; W222003_ALDRICH; 240788_ALDRICH; FEMA No. 2220; W222011_ALDRICH; Isobutyraldehyde (natural); UN2045; NCGC00091788-01; Isopropylformaldehyde; Propionaldehyde, 2-methyl-; CCRIS 1101; ZINC01866952; 26140-46-5; 320358_ALDRICH; .alpha.-Methylpropionaldehyde; 2-METHYL-PROPANAL; Isobutanal; Valine aldehyde; Isobutyraldehyd; Isopropylaldehyde; Isopropyl aldehyde; Isobutyraldehyde or isobutyl aldehyde [UN2045] [Flammable liquid]; EINECS 201-149-6; Isobutyraldehyd [Czech]; 2-Methyl-1-propanal; 78-84-2; 2-Methylpropanal; ISOBUTYRALDEHYDE; Isobutaldehyde; 538205_ALDRICH; InChI=1/C4H8O/c1-4(2)3-5/h3-4H,1-2H; Isopropyl formaldehyde; Propanal, 2-methyl-; AI3-15311; NSC6739; Isobutyric aldehyde; Methylpropanal; Isobutyryl aldehyde; WLN: VHY1&1; ISO-BUTYRALDEHYDE; alpha-Methylpropionaldehyde; Methyl propanal; 418110_ALDRICH; NSC 6739; HSDB 614; NCI-C60968; Isobutylaldehyde | C4H8O | 72.11 | CC(C)C=O |
| TCMBANKIN059188 | beta-Terpinene | 1-isopropyl-4-methylene-cyclohexene; β-terpinene; 1-isopropyl-4-methylenecyclohexene; EINECS 202-793-0; 4-methylidene-1-propan-2-ylcyclohexene; p-Mentha-1(7),3-diene; 4-methylidene-1-propan-2-yl-cyclohexene; 99-84-3; Cyclohexene, 4-methylene-1-(1-methylethyl)-; Cyclohexene,4-methylene-1-(1-methylethyl)-; belta-terinene;Cyclohexene,4-methylene-1-(1-methylethyl) | C10H16 | 136.23 | CC(C)C1=CCC(=C)CC1 |
| TCMBANKIN059195 | (1S,5S)-1-isopropyl-4-methylenebicyclo[3.1.0]hexane | (1S,5S)-1-isopropyl-4-methylene-bicyclo[3.1.0]hexane; (1S,5S)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane; (1S,5S)-4-methylidene-1-propan-2-yl-bicyclo[3.1.0]hexane | C10H16 | 136.23 g/mol | CC(C)C12CCC(=C)C1C2 |
| TCMBANKIN059211 | piperitone epoxide | C10H16O2 | CC(C)C1CCC2(C(C1=O)O2)C | ||
| TCMBANKIN059217 | beta-Bourbonene | (-)-beta-Bourbonene;beta .-Bourbonene;(-)-β-Bour-bonene; Bourbonene, beta-; Cyclobuta(1,2:3,4)dicyclopentene, decahydro-3a-methyl-6-methylene-1-(1-methylethyl)-, (1S-(1alpha,3aalpha,3bbeta,6abeta,6balpha))-; β-bourbonene; Decahydroisopropylmethylmethylenecyclobuta(1,2:3,4)dicyclopentene; beta-bourbonene; 1,2,3,3a,3bbeta,4,5,6,6abeta,6balpha-decahydro-1alpha-isopropyl-3aalpha-methyl-6-methylenecyclobuta(1,2:3,4)dicyclopentene; Decahydro-3a-methyl-6-methylene-1-(1-methylethyl)cyclobuta(1,2:3,4)dicyclopentene, (1S-(1alpha,3aalpha,3bbeta,6abeta,6balpha))-; beta- Bourbonene; 13833-27-7; β- Bourbon ene; Cyclobuta(1,2:3,4)dicyclopentene, 1,2,3,3a,3bbeta,4,5,6,6abeta,6balpha-decahydro-1alpha-isopropyl-3aalpha-methyl-6-methylene | C15H24 | 204.35 | CC(C)C1CCC2(C1C3C2CCC3=C)C |
| TCMBANKIN059240 | Isovaleral | Aldehyde isovalerianique [French]; Isopentanal; beta-Methylbutanal; 2-Methylbutanal-4; C07329; 3-Methyl butyraldehyde; 3-Methylbutanal; Isovaleric aldehyde; 1-Butanal, 3-methyl-; Isopentaldehyde; W269212_ALDRICH; Isoamyl aldehyde; WLN: VH1Y1&1; 4-01-00-03291 (Beilstein Handbook Reference); 59820_FLUKA; Butanal, 3-methyl-; beta-Methylbutyraldehyde; InChI=1/C5H10O/c1-5(2)3-4-6/h4-5H,3H2,1-2H; .beta.-Methylbutanal; 3-Methylbutylaldehyde; 590-86-3; EINECS 209-691-5; 3-Methylbutyraldehyde (natural); NSC 404119; BRN 0773692; Butanal, methyl-; CCRIS 2945; NSC404119; Isoamylaldehyde; ZINC00896832; iso-C4H9CHO; W269204_ALDRICH; FEMA No. 2692; AI3-16106; HSDB 628; Isovalerylaldehyde; 3-Methylbutan-1-al; 3-Methylbutyraldehyde; 146455_ALDRICH; CHEBI:16638; 3-Methyl-1-butanal; 26140-47-6; Isovaleraldehyde; Butyraldehyde, 3-methyl-; Butanal,- methyl-; Butanal, 3- methyl-; isovaleraldehyde; 3-methyl butanal | C5H10O | 86.13 | CC(C)CC=O |
| TCMBANKIN059399 | Allocymene | C10H16 | 136.23 | CC=C(C)C=CC=C(C)C | |
| TCMBANKIN059502 | 1H-Cycloprop(e)azulen-7-ol, decahydro-1,1,7-trimethyl-4-methylene-, (1aR-(1aalpha,4aalpha,7beta,7abeta,7balpha))- | C15H24O | 220.35 | CC1(C2C1C3C(CCC3(C)O)C(=C)CC2)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 | |
| TCMBANKIN059527 | (+)-Camphene | C10H16 | 136.23 g/mol | CC1(C2CCC(C2)C1=C)C | |
| TCMBANKIN059531 | eucalyptol | C10H18O | 154.25 g/mol | CC1(C2CCC(O1)(CC2)C)C | |
| TCMBANKIN059532 | (1R)-1, 7, 7-trimethyl-bicyclo[2.2.1]heptan-2-one | C10H16O | 152.23 g/mol | CC1(C2CCC1(C(=O)C2)C)C | |
| TCMBANKIN059536 | α-fenchene | C10H16 | 136.23 g/mol | CC1(C2CCC1C(=C)C2)C | |
| TCMBANKIN059587 | inalool oxide | C10H18O2 | 170.25 g/mol | CC1(CCC(O1)C(C)(C)O)C=C | |
| TCMBANKIN059724 | Phenol, 2-methyl-5-(1-methylethyl) | C10H14O | 150.22 g/mol | CC1=C(C=C(C=C1)C(C)C)O | |
| 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 | |
| TCMBANKIN059836 | thymol | C10H14O | 150.22 | CC1=CC(=C(C=C1)C(C)C)O | |
| TCMBANKIN059868 | 2-Cyclohexen-1-one,3-methyl-6-(1-methylethyl)-;piperitone | C10H16O | 152.23 g/mol | CC1=CC(=O)C(CC1)C(C)C | |
| TCMBANKIN059905 | p-isopropyltoluene;4-Isopropyltoluene;cymene;1-methyl-4-(1-methylethyl)benzene;Cymol;Para cymene;4-Cymol;p-cymene;Dolcymene | C10H14 | 134.22 g/mol | CC1=CC=C(C=C1)C(C)C | |
| TCMBANKIN059914 | alpha-terpinene | C10H16 | 136.23 | CC1=CC=C(CC1)C(C)C | |
| TCMBANKIN059928 | emodin | C15H10O5 | 270.24 g/mol | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)O | |
| TCMBANKIN059929 | physcion | C16H12O5 | 284.26 g/mol | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)OC | |
| TCMBANKIN059932 | chrysophanol | C15H10O4 | 254.24 | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC=C3O | |
| TCMBANKIN059955 | 2-methylnaphthalene | C11H10 | 142.2g/mol | CC1=CC2=CC=CC=C2C=C1 | |
| TCMBANKIN059960 | (-)-g-cadinene | C15H24 | 204.35 g/mol | CC1=CC2C(CC1)C(=C)CCC2C(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 | |
| TCMBANKIN059970 | 1, 4-Cyclohexadiene, 1-methyl-4-(1-methylethyl);crithmene;4-Isopropyl-1-methyl-1,4-cyclohexadiene;Moslene;gamma-terpinene | C10H16 | 136.23 g/mol | CC1=CCC(=CC1)C(C)C | |
| TCMBANKIN059982 | d-limonene | C10H16 | 136.23 g/mol | CC1=CCC(CC1)C(=C)C | |
| TCMBANKIN059985 | alpha-terpinol | C10H18O | 154.25 g/mol | CC1=CCC(CC1)C(C)(C)O | |
| TCMBANKIN059991 | 8-acetoxy-carvotanacetone | C12H18O3 | 210.27 g/mol | CC1=CCC(CC1=O)C(C)(C)OC(=O)C | |
| TCMBANKIN060014 | Germacrene D | C15H24 | 204.35 g/mol | CC1=CCCC(=C)C=CC(CC1)C(C)C | |
| TCMBANKIN060015 | 9-epi-(E)-caryophyllene | C15H24 | 204.35 g/mol | CC1=CCCC(=C)C2CC(C2CC1)(C)C | |
| TCMBANKIN060264 | rutin | C27H30O16 | 610.5 g/mol | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O | |
| TCMBANKIN060271 | acacetin-7-O-rutinoside | C28H32O14 | 592.5 g/mol | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)OC)O)O)O)O)O)O)O | |
| TCMBANKIN060332 | thujene | C10H16 | 136.23 g/mol | CC1C=CC2(C1C2)C(C)C | |
| TCMBANKIN060372 | dl-Thujone | C10H16O | 152.23 | CC1C2CC2(CC1=O)C(C)C | |
| TCMBANKIN060440 | pulegone | C10H16O | 152.23 g/mol | CC1CCC(=C(C)C)C(=O)C1 | |
| TCMBANKIN060450 | d-menthone | C10H18O | 154.25 g/mol | CC1CCC(C(=O)C1)C(C)C | |
| TCMBANKIN060452 | ()-Neomenthol;(1R,2R,5S)-2-Isopropyl-5-methylcyclohexanol | C10H20O | 156.27 | CC1CCC(C(C1)O)C(C)C | |
| TCMBANKIN060456 | bicyclosesquiphellandrene | C15H24 | 204.35g/mol | CC1CCC(C2=CC(=C)CCC12)C(C)C | |
| TCMBANKIN060460 | b-Cubebene | C15H24 | 204.35 g/mol | CC1CCC(C2C13C2C(=C)CC3)C(C)C | |
| TCMBANKIN060461 | menthane | C10H20 | 140.27 g/mol | CC1CCC(CC1)C(C)C | |
| TCMBANKIN060468 | (+)-calaren | C15H24 | 204.35 | CC1CCC=C2C1(C3C(C3(C)C)CC2)C | |
| TCMBANKIN060575 | alpha-gurjunene | C15H24 | 204.35 g/mol | CC1CCC2C(C2(C)C)C3=C(CCC13)C | |
| TCMBANKIN060632 | 6-tetradecene-8,10,12-triyn-3-one | 198.26 | CCC(=O)CCC=CC#CC#CC#CC | ||
| 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 | |
| TCMBANKIN060716 | β-hexenol | C6H12O | 100.16 g/mol | CCC=CCCO | |
| TCMBANKIN060717 | Leaf acetate | C8H14O2 | 142.2g/mol | CCC=CCCOC(=O)C | |
| TCMBANKIN060790 | leaf aldehyde | C6H10O | 98.14 g/mol | CCCC=CC=O | |
| TCMBANKIN060842 | 3-octanone; EAK; methylheptanone | C8H16O | 128.21 | CCCCCC(=O)CC | |
| TCMBANKIN060859 | 3-octanol | C8H18O | 130.23 | CCCCCC(CC)O | |
| TCMBANKIN060867 | (3E,5E )-1,3,5-Undeca-triene | C11H18 | 150.26 g/mol | CCCCCC=CC=CC=C | |
| TCMBANKIN060879 | Linolic acid | C18H32O2 | 280.4 g/mol | CCCCCC=CCC=CCCCCCCCC(=O)O | |
| TCMBANKIN060905 | Ricineic acid | C18H32O2 | 280.45 | CCCCCCC=CC=CCCCCCCCC(=O)O | |
| TCMBANKIN060937 | linderic acid | C12H22O2 | 198.3 g/mol | CCCCCCCC=CCCC(=O)O | |
| TCMBANKIN060954 | Undecenal | C11H20O | 168.28 g/mol | CCCCCCCCC=CC=O | |
| TCMBANKIN060980 | caproic acid;capric acid;n-decanoic acid;NON | C10H20O2 | 172.26 g/mol | CCCCCCCCCC(=O)O | |
| TCMBANKIN060992 | dodecenoicacid | C12H22O2 | 198.3 g/mol | CCCCCCCCCC=CC(=O)O | |
| TCMBANKIN060996 | UND | C11H24 | 156.31 g/mol | CCCCCCCCCCC | |
| TCMBANKIN061003 | Dodekan,dodecane,n-dodecane | C12H26 | 170.33 g/mol | CCCCCCCCCCCC | |
| TCMBANKIN061006 | lauric acid | C12H24O2 | 200.32 | CCCCCCCCCCCC(=O)O | |
| TCMBANKIN061014 | n-dodecanal | C12H24O | 184.32 g/mol | CCCCCCCCCCCC=O | |
| TCMBANKIN061024 | tetradecane | C14H28 | 196.39 g/mol | CCCCCCCCCCCCC=C | |
| TCMBANKIN061029 | myristic acid | C14H28O2 | 228.37 | CCCCCCCCCCCCCC(=O)O | |
| TCMBANKIN061058 | n-hexadecane | C16H34 | 226.44 g/mol | CCCCCCCCCCCCCCCC | |
| TCMBANKIN061091 | stearic acid | CH3(CH2)16COOH | 284.5 g/mol | CCCCCCCCCCCCCCCCCC(=O)O | |
| TCMBANKIN061095 | TGL | C57H110O6 | 891.5 g/mol | CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC | |
| TCMBANKIN061141 | n-hentriacontane | C31H64 | 436.8 g/mol | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC | |
| TCMBANKIN061183 | Decyl acetate | C12H24O2 | 200.32 g/mol | CCCCCCCCCCOC(=O)C | |
| TCMBANKIN061194 | 1-hexanol | C6H14O | 102.17 g/mol | CCCCCCO | |
| TCMBANKIN061313 | arecaine | C7H11NO2 | 141.17 g/mol | CN1CCC=C(C1)C(=O)O | |
| TCMBANKIN061314 | arecoline | C8H13NO2 | 155.19 | CN1CCC=C(C1)C(=O)OC | |
| TCMBANKIN061404 | Clorius | AI3-00525; NSC 9394; InChI=1/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H; 18344_FLUKA; benzoic acid methyl ester; AIDS-018029; Oil of Niobe; UN2938; ZINC00156868; AIDS018029; Methyl benzoate; CCRIS 5851; EINECS 202-259-7; Methyl benzoate [UN2938] [Keep away from food]; Essence of niobe; WLN: 1OVR; Clorius (VAN); Methylester kyseliny benzoove [Czech]; oniobe oil; 93-58-3; W268305_ALDRICH; FEMA No. 2683; Methyl benzenecarboxylate; 27614_RIEDEL; Benzoic acid, methyl ester; Methyl benzoate (natural); oxidate le; Methylbenzoate; NSC9394; Niobe oil; M29908_ALDRICH; W268313_ALDRICH; HSDB 5283; NCGC00091665-01;I01-2293; AC1L1O4G; MFCD00008421; Z19825577; benzoic acid methylester; Oxidate le; EC 202-259-7; NCGC00259381-01; UN2938; benzoic acid methyl; 102027-EP2371831A1; NCGC00256939-01; A844641; EINECS 202-259-7; NSC-9394; C20645; KSC487A6F; WLN: 1OVR; DSSTox_GSID_25572; Methyl benzenecarboxylate; Benzoic acid, methyl ester; Methyl benzoate, for synthesis, 98.0%; Methyl benzoate (natural); BB_SC-7167; UNII-6618K1VJ9T; AKOS000120640; Methylbenzoate; AN-42658; MCULE-3681534655; Methyl benzoate, analytical standard; AI3-00525; InChI=1/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H; TC-060464; DSSTox_RID_77836; ANW-75136; ZINC156868; SMR001216584; 102027-EP2272817A1; Methyl ester of benzoic acid; UN 2938; (benzoyloxy)methyl; Methylester kyseliny benzoove; 93-58-3; 102027-EP2301983A1; CHEMBL16435; KB-54731; SC-18079; J-522592; F0001-2239; 1082718-77-1; Niobe oil; NCGC00091665-01; CTK3I7062; NSC 9394; ST51015549; ACT10969; Methyl benzoate, 99%; CAS-93-58-3; BBL010502; CCRIS 5851; DSSTox_CID_5572; Methyl benzoate [UN2938] [Keep away from food]; 102027-EP2287940A1; Methyl benzoate [UN2938] [Keep away from food]; B0074; SCHEMBL7200; Essence of niobe; FEMA No. 2683; FT-0622713; Methyl benzoate, natural, >=98%, FCC, FG; STK021498; SBB058212; Tox21_303198; MLS001050185; SCHEMBL4790973; Tox21_201832; DTXSID5025572; Methyl benzoate, >=99% (GC); RP20261; 6618K1VJ9T; Methyl benzoate, >=98%, FCC, FG; AK-98161; benzoic acid methyl ester; METHYL BENZOATE; KS-00000VMQ; CHEBI:72775; methyloxycarbonylbenzene; AJ-13898; SCHEMBL10330498; ST24031184; 102027-EP2289965A1; Clorius; TRA0079771; Methylester kyseliny benzoove [Czech]; RTC-060464; Oil of niobe; ZB006457; ACMC-20aioi; NCGC00091665-02; LS-1945; MolPort-001-783-861; Oniobe oil; 102027-EP2275469A1; NSC9394; QPJVMBTYPHYUOC-UHFFFAOYSA-N; HSDB 5283 | C8H8O2 | 136.15 | COC(=O)C1=CC=CC=C1 |
| TCMBANKIN061489 | Diosmetin | C10038; 520-34-3; AIDS-214630; KBioGR_001586; 5,7-dihydroxy-2-(3-hydroxy-4-methoxy-phenyl)chromen-4-one; SpecPlus_000435; Spectrum3_000987; Spectrum_001505; SDCCGMLS-0066783.P001; diosmetin; ST5331610; 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-chromen-4-one; Spectrum4_001113; DivK1c_006531; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-; KBio1_001475; 3',5,7-trihydroxy-4'-methoxy flavone; 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one; SPBio_001735; Spectrum5_001707; KBioSS_001985; KBio2_004553; AIDS214630; KBio2_001985; NCGC00163540-01; EINECS 208-291-8; KBio2_007121; 5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-benzopyrone; Luteolin 4'-methyl ether; KBio3_001873; 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-chromenone; CHEBI:4630; 3',5,7-trihydroxy-4'-methoxyflavone; Spectrum2_001638; BSPBio_002653; 5,7-dihydroxy-2-(3-hydroxy-4-methoxy-phenyl)chromone; 5,7,3'-trihydroxy-4'-methoxyflavone | C16H12O6 | 300.26 g/mol | COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O |
| TCMBANKIN061577 | FER | Ferulate; Coniferic acid; Cinnamic acid, 4-hydroxy-3-methoxy- (8CI); KBio1_001587; Spectrum5_000554; SDCCGMLS-0066667.P001; NCGC00094889-02; AIDS017864; 3-methoxy-4-hydroxy-trans-cinnamic acid; CCRIS 3256; trans-4-Hydroxy-3-methoxycinnamic acid; 97274-61-8; (E)-4'-Hydroxy-3'-methoxycinnamic acid; Cinnamic acid, 4-hydroxy-3-methoxy-, (E)-; SBB000326; Cinnamic acid, 4-hydroxy-3-methoxy-; NCGC00094889-03; InChI=1/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13; 3-(4-Hydroxy-3-methoxyphenyl)acrylic acid; SMR000112202; 4-Hydroxy-3-methoxycinnamic acid; 3-Methoxy-4-hydroxy-trans-cinnamate; Ferulic acid, trans-; 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid; Spectrum2_001394; KBio3_002388; 4-Hydroxy-3-methoxy cinnammic acid; 1135-24-6; CHEBI:17620; transferulic acid NCGC00094889-01; EINECS 208-679-7; Spectrum3_001434; NCI60_002312; NSC51986; Ferulic acid dehydrogenation homopolymer; EINECS 214-490-0; CCRIS 7575; KBio2_006872; KBio2_004304; FERULOATE; 537-98-4; Spectrum_001256; caffeic acid 3-methyl ether; 128708_ALDRICH; Cinnamic acid, 4-hydroxy-3-methoxy-, trans-; NSC 674320; 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, (E)- (9CI); MLS001066385; 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-; BSPBio_003168; NSC2821; SPBio_001408; 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, (E)-; 46278_FLUKA; (E)-Ferulic acid; (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoic acid; 3-methoxy-4-hydroxycinnamic acid; FERULIC-ACID; SpecPlus_000547; KBioSS_001736; AIDS-017864; Spectrum4_001897; (E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid; 3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid homopolymer; SPECTRUM1501017; FERULIC ACID (TRANS); 3-(4-hydroxy-3-methoxy-phenyl)acrylic acid; (E)-3-(4-hydroxy-3-methoxy-phenyl)acrylic acid; (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid; DivK1c_006643; C01494; KBioGR_002459; 3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid; NSC 51986; 3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoic acid; ferulic acid; KBio2_001736; CINNAMIC ACID,4-HYDROXY,3-METHOXY FERULIC ACID; NSC 2821; W518301_ALDRICH; (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid; Trans-ferulic acid; 3-methoxy-4-hydroxycinnamic acid | C10H10O4 | 194.18 g/mol | COC1=C(C=CC(=C1)C=CC(=O)O)O |
| TCMBANKIN061728 | genkwanin | AIDS003028; ZINC5732375; 4',5-Dihydroxy-7-methoxyflavone; 5-Hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-chromen-4-one; 5,4'-Dihydroxy-7-methoxyflavone; 5K3I5D6B2B; Genkwanin, >=98% (HPLC); KBioSS_000810; KBio2_003378; Henquanin; KBioGR_002193; ZINC00058122; Spectrum4_001667; Puddumetin; W1623; 4,5-Dihydroxy-7-methoxyflavone; NCGC00178332-01; DTXSID80195908; TC-169190; KBio2_005946; I07-0230; AKOS015896775; C10046; 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-chromen-4-one; N2092; 4CN-1073; 437-64-9; C-57765; 4'',5-dihydroxy-7-methoxyflavone; 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-chromone; KBio2_000810; UNII-5K3I5D6B2B; BDBM50187658; 5-Hydroxy-2-(4-hydroxy-phenyl)-7-methoxy-chromen-4-one; 7-Methylapigenin; 4H-1-Benzopyran-4-one,5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-; SCHEMBL866123; Spectrum2_001355; Genkwanin; Gengkwanin; AIDS-003028; Spectrum_000330; 4'',5-dihydroxy-7-methoxy flavone; MolPort-003-665-822; 4H-1-Benzopyran-4-one, 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-; SPBio_001569; 7'O-methyl-apigenin; 7-Methoxyapigenin; 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-chromenone; MFCD00017452; JPMYFOBNRRGFNO-UHFFFAOYSA-N; ST057642; Gonkwanin; CCG-38838; BRD-K29160894-001-02-9; MCULE-4718928065; Apigenin 7-O-Methyl Ether; BSPBio_003042; Apigenin-7-methylether; KBio3_002262; KBio1_001875; 5-Hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-chromen-4-one #; DivK1c_006931; 7-O-Methylapigenin; Spectrum3_001401; FT-0617186; AC1NQYQP; Apigenin 7-methyl ether; LMPK12111018; Spectrum5_000573; CHEBI:75718; 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one; SpecPlus_000835; 4',5-dihydroxy-7-methoxy flavone; ACMC-20amrz; DB-051163; 4',5-Dihydroxy-7-methoxyflavone, AldrichCPR; Flavone, 4',5-dihydroxy-7-methoxy-; Genkwanin, analytical standard; CHEMBL210635; apigenin-7-methyl ether; CTK4I7720; 5,4′-dihydroxy-7-methoxyflavone; | C16H12O5 | 284.26 g/mol | COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O |
| TCMBANKIN061805 | myristicin; 1,3-Benzodioxole,4-methoxy-6-(2-propenyl)-; asaricin | 4-Methoxy-6-(2-propenyl)-1,3-benzodioxole; 04PD6CT78W; BNWJOHGLIBDBOB-UHFFFAOYSA-N; 4-methoxy-6-prop-2-enyl-1,3-benzodioxole; 1,3-Benzodioxole, 4-methoxy-6-(2-propenyl)-; V0156; STK693140; Myristicin, analytical standard; ZB013050; Myristicin from parsley leaf oil, >=85% (HPLC), oil; UNII-04PD6CT78W; CCG-208543; NCGC00257726-01; Myristicin; 4-Methoxy-6-[2-propenyl]-1,3-benzodioxole; C10480; FCH920323; 6-Allyl-4-methoxy-1,3-benzodioxole; Myristicine; Benzene, 5-allyl-1-methoxy-2,3-(methylenedioxy)-; HMS2270K14; SCHEMBL68041; BRN 0166218; NCGC00091427-03!4-methoxy-6-prop-2-enyl-1,3-benzodioxole; DSSTox_RID_77884; 1,3-Benzodioxole, 4-methoxy-6-(2-propenyl)- (9CI); SBB014760; CAS-607-91-0; 607M910; SR-01000838340-3; 1-Allyl-3-methoxy-4,5-methylenedioxybenzene; M9411_SIGMA; 6-allyl-4-methoxy-1,3-benzodioxol; 1-Methoxy-2,3-methylenedioxy-5-(2-propenyl)benzene; ZERO/009047; AKOS005604763; Myristicin (6CI); MFCD00133549; Myristicin from parsley leaf oil; LS-2163; DSSTox_CID_5693; MLS001065535; MCULE-6209105333; 607-91-0; 4-methoxy-6-(prop-2-en-1-yl)-1,3-benzodioxole; CHEBI:68234; DSSTox_GSID_25693; CCRIS 6782; Tox21_200172; 5-Allyl-2,3-(methylendioxy)anisole; 4-methoxy-6-prop-2-enyl-2H-benzo[d]1,3-dioxolene; 4-Methoxy-6-(2-propenyl)-1,3-benzodioxole, 9CI; ST097616; 3-methoxy,4,5-methylenedioxy-allylbenzene; EINECS 210-146-9; 5-Allyl-1-methoxy-2,3-(methylenedioxy)-Benzene; NCGC00091427-02; MolPort-003-925-569; 4-methoxy-6-(prop-2-en-1-yl)-2H-1,3-benzodioxole; CHEMBL481044; SC-21462; SMR000112534; API0025964; CTK5J3915; HSDB 3516; AC1L1HSS; AN-46392; ZINC403089; DTXSID1025693; FT-0672575; 5-19-02-00631 (Beilstein Handbook Reference); 09237_FLUKA; 5-Allyl-1-methoxy-2,3-(methylenedioxy)benzene; SR-01000838340; NCGC00091427-01; myristicin; 1-allyl-3,4-methylenedioxy-5-methoxybenzene | C11H12O3 | 192.21 g/mol | COC1=CC(=CC2=C1OCO2)CC=C |
| TCMBANKIN061939 | MSM | Thiobis(methane); Dimethyl sulfide [UN1164] [Flammable liquid]; (methylthio)methane; EINECS 200-846-2; Dimethyl thioether; Methane, thiobis-; Dimethylsulfid [Czech]; 2-Thiapropane; [SMe2]; W274615_ALDRICH; UN1164; 31533-72-9; HSDB 356; InChI=1/C2H6S/c1-3-2/h1-2H; BRN 1696847; REDUCED-DMSO; Dimethyl sulfide (natural); dimethylsulfide; AI3-25274; W274607_ALDRICH; (METHYLSULFANYL)METHANE; thiobismethane; 41625_FLUKA; 274380_ALDRICH; c0237; methylsulfanylmethane; CHEBI:17437; Methanethiomethane; Methyl sulphide; dimethyl sulphide; 75-18-3; Methyl thioether; 4-01-00-01275 (Beilstein Handbook Reference); Methyl monosulfide; Methylthiomethyl radical; Exact-S; 471577_ALDRICH; W274623_ALDRICH; Sulfure de methyle [French]; ZINC06072460; dimethyl sulfide; C00580; 2-Thiopropane; Methylthiomethane; reduced dimethyl sulfoxide; Dimethyl monosulfide; Dimetyl sulfide; FEMA No. 2746; Methyl sulfide | C2H6S | 62.13 | CSC |
植物对应的疾病
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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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