Plant Summary
Plant Information
TCMBank_ID: | TCMBANKHE003895 |
ID: | TCMBANKHE003895 |
功能与主治: | Its decoction exerts an effect of enhancing the intestinal tensity and decreasing the extent of intestinal contraction in rabbits in vitro, which can be counteracted by atropine. |
药用植物名: | 大腹皮 |
临床特征: | Its decoction exerts an effect of enhancing the intestinal tensity and decreasing the extent of intestinal contraction in rabbits in vitro, which can be counteracted by atropine. |
治疗类型: | 理气药 |
TCM_ID_id: | 4986 |
SymMap_id: | 84 |
TCMSP_id: | 137 |
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 |
|---|
| TCMBANKIN001577 | 1β,2α,3β,19α-tetrahydroxyurs-12-en-28-oic acid | C30H48O6 | 504.78 | ||
| TCMBANKIN001920 | 3β-[(α-l-arabinopyranosyl)oxy]-urs-12,19-dien-28-oicacid | C35H54O7 | CC1=C(C2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(CC1)C(=O)O)C)C)(C)C)OC6C(C(C(CO6)O)O)O)C)C | ||
| TCMBANKIN002370 | Arborinol | arborinol | C30H50O | 426.7 g/mol | CC(C)C1CCC2C1(CCC3(C2(CC=C4C3CCC5C4(CCC(C5(C)C)O)C)C)C)C |
| 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 |
| TCMBANKIN002657 | sanguiinh8 | sanguiin h8 | C54H42O36 | 1266.9 g/mol | C1C2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)O)OC(=O)C4=C(C5=C(C(=C(C=C5C(=O)O1)O)O)O)C(=C(C(=C4OC6=CC(=CC(=C6O)O)C(=O)OC7C8C(C(C(O7)CO)O)OC(=O)C9=CC(=C(C(=C9C1=C(C(=C(C=C1C(=O)O8)O)O)O)O)O)O)O)O)O |
| TCMBANKIN002807 | sanguisorbic acid dilactone | C21H10O13 | 470.3 g/mol | C1=C(C=C(C(=C1O)O)OC2=C(C(=O)C3=C4C2=C(OC5=C4C(=C(O3)O)C=C(C5=O)O)O)O)C(=O)O | |
| TCMBANKIN003193 | ent-Epicatechin | AIDS026330; AIDS-026330; (2S,3S)-2-(3,4-dihydroxyphenyl)chroman-3,5,7-triol; (+)-Epicatechin; 35323-91-2; C09728; 2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2S-cis)-; ZINC00119978 | C15H14O6 | 290.27 | C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O |
| TCMBANKIN003958 | 3β-[(α-l-arabinopyranosyl)oxy]-urs-11,13(18)-dien-28-oicacid β-d-glucopyranosyl ester | C41H64O12 | CC1CCC2(CCC3(C(=C2C1C)C=CC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(CO6)O)O)O)C)C)C)C(=O)OC7C(C(C(C(O7)CO)O)O)O | ||
| TCMBANKIN007004 | 2-methyl-1,3,6-trihydroxy-9,10-anthraquinone3-o-(α-l-rhamnopyranosyl-(1→2)(6'-acetyl)-β-d-glucopyranoside) | C29H32O15 | |||
| TCMBANKIN007844 | 3β-[(α-l-arabinopyranosyl)oxy]-19α-hydroxy-urs-12-en-28-oicacid | C35H56O8 | |||
| TCMBANKIN008101 | tetradecanoic acid | SCHEMBL136610; A830197 | C14H28O2 | 228.37 | CCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCC(=O)O |
| TCMBANKIN008482 | b-sitostero-b-d-glycoside | ||||
| TCMBANKIN008594 | 3, 11-dioxo-19alpha-hydrooxyurs-12-en 28-oic acid | 3,11-dioxo-19alpha-hydrooxyurs-12-en 28-oic acid | |||
| 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 |
| TCMBANKIN008958 | pomolicacid-28-o-β-d-glucopyranoside | ||||
| TCMBANKIN009619 | suavissimosider1 | suavissimoside R1 | C36H56O12 | 680.8 g/mol | CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C(=O)O)O)O)C)C)C2C1(C)O)C)C(=O)OC6C(C(C(C(O6)CO)O)O)O |
| TCMBANKIN010239 | 3β-[(α-l-arabinopyranosyl)oxy]-19α-hydroxy-urs-12-en-28-oicacid 28-(6-o-galloyl-β-d-glucopyranosyl)ester | C48H70O17 | CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(CO6)O)O)O)C)C)C2C1(C)O)C)C(=O)OC7C(C(C(C(O7)COC(=O)C8=CC(=C(C(=C8)O)O)O)O)O)O | ||
| TCMBANKIN010426 | 2-methoxy-4-methylphenyl-O-β-D-apiofuranosyl-(1 → 6)-β-D-glucopyranoside | ||||
| TCMBANKIN010478 | glucoside gallate | ||||
| TCMBANKIN011283 | 3β,19α-dihydroxyursan-28-oicacid | C30H50O4 | |||
| TCMBANKIN012498 | cyanin | LMPK12010113; Cyanidin 3,5-diglucoside; cyanine; Cyanin | C27H31O16+ | 611.5 g/mol | C1=CC(=C(C=C1C2=C(C=C3C(=CC(=CC3=[O+]2)O)OC4C(C(C(C(O4)CO)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O)O |
| 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 |
| TCMBANKIN013955 | chrysanthemol | chrysanthemol ; ZINC15208543; MolPort-044-723-367; (+)-Chrysanthemol[terpene] | C10H18O | 154.25 g/mol | CC(=CC1C(C1(C)C)CO)C |
| TCMBANKIN014217 | 3-o-gallpylprocyanidin b3 | ||||
| TCMBANKIN014308 | bexamethyl-benzene | ||||
| TCMBANKIN014466 | sanguiinh3 | sanguiin h3 | C68H48O44 | 1569.1 g/mol | C1C2C(C3C(C(O2)C(=O)OC4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5C6=C(C(=C(C=C6C(=O)O3)O)O)O)O)O)O)OC(=O)C7=C(C8=C(C(=C(C=C8C(=O)O1)O)O)O)C(=C(C(=C7OC9=CC(=CC(=C9O)O)C(=O)OC1C2C(C(C(O1)CO)O)OC(=O)C1=CC(=C(C(=C1C1=C(C(=C(C=C1C(=O)O2)O)O)O)O)O)O)O)O)O |
| TCMBANKIN015165 | sanguiinh5 | ||||
| TCMBANKIN016405 | 3,3',4-tri-O-methylellagic acid | 3,3', 4-tri-o-methylellagic acid; 3,3',4-tri-o-methylellagic acid; 3,3',4-tri-o-methyl ellagicacid; 3,3',4-tri-o-methyl ellagic acid | 346.31 | ||
| TCMBANKIN017412 | galloylhamame lose | C13H16O10 | 332.26 g/mol | C1=C(C=C(C(=C1O)O)O)C(=O)C(=O)C(CO)(C(C(CO)O)O)O | |
| TCMBANKIN017993 | vitamin c | D01CWN; Cell C; Ronotec 100; P 1110; Suncoat VC 40; D-threo-hex-2-enoic acid gamma-lactone; Citrovit; 2-o-(beta-d-glucopyranosyl)-ascorbic acid_qt; Juvamine; SCHEMBL13468284; Vasc; CHEBI:51384; D-Lyxoascorbic acid; CHEMBL1253320; AK481251; Chewcee; D-xyloascorbic acid; C8DQ5M1Y1E; MLS001066386; AK322241; Ascorbic acid, D-; AC1LD8K5; E 300; Scorbu C; 10504-35-5; Ascorbicacid; l(+)-ascorbic acid; ZINC100006137; L-ascorbate (vitamin C); (5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyfuran-2(5H)-one; (+)-Ascorbic acid; UNII-C8DQ5M1Y1E; Ascorbinsaure; Ceklin; VC 97; (2S)-2-[(1R)-1,2-bis(oxidanyl)ethyl]-4,5-bis(oxidanyl)furan-3-one; Vicin; L-ascorbate acid; L-ascorbic acid; L-dehydroascorbic acid; ascorbate; D-threo-hex-2-enono-1,4-lactone; Kangbingfeng; D-Ascorbic acid; Viscorin 100M; ZINC100028197; (2S)-2-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxy-3-furanone; L-Ascorbic acid (8CI,9CI); Proscorbin Redoxon Ribena Ronotec 100; Hex-2-enonic acid gamma-lactone, L-threo; (5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2,5-dihydrofuran-2-one; Ascorbic acid; DL-Ascorbic acid; AKOS000278050; Cebion, gamma-lactone; F91F7DA3-A3D5-4FB4-A6E7-C497C48D192A; GTPL4651; SMR000471843; Xyloascorbic acid, L-; Rontex 100; Rovimix C; (2S)-2-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxyfuran-3-one; A828310 | C6H8O6 | 176.12 | C(C(C1C(=C(C(=O)O1)O)O)O)O |
| TCMBANKIN019167 | sanguisobicacid dilactone | sanguisobic acid dilactone | C1=C(C=C(C(=C1O)O)OC2=C(C(=C3C4=C2C(=O)OC5=C4C(=CC(=C5O)O)C(=O)O3)O)O)C(=O)O | ||
| TCMBANKIN019942 | vitamin e | vitamin-e; LS-187838; alpha-tocopherol; tocopherol; β-Tocopherol; α-tocopher | C29H50O2 | 430.7 g/mol | CC1=C(C2=C(CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C(=C1O)C)C |
| TCMBANKIN021031 | 3β-[(α-l-arabinopyranosyl)oxy]-23-hydroxy-urs-12,19(29)-dien-28-oicacid 28-β-d-gluco-pyranosyl ester | C41H64O13 | CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)CO)OC6C(C(C(CO6)O)O)O)C)C)C2C1=C)C)C(=O)OC7C(C(C(C(O7)CO)O)O)O | ||
| TCMBANKIN021211 | sanguiinh10 | sanguiin h10 | C68H48O44 | 1569.1 g/mol | C1C2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)OC4=C(C(=C(C5=C4C(=O)OC6C(COC(=O)C7=CC(=C(C(=C75)O)O)O)OC(C8C6OC(=O)C9=CC(=C(C(=C9C2=C(C(=C(C=C2C(=O)O8)O)O)O)O)O)O)OC(=O)C2=CC(=C(C(=C2)O)O)O)O)O)O)O)O)O)O)OC(=O)C2=CC(=C(C(=C2C2=C(C(=C(C=C2C(=O)O1)O)O)O)O)O)O |
| TCMBANKIN022865 | 4-ethyl-2-methyl-phenol | C9H12O | 136.19 g/mol | CCC1=CC(=C(C=C1)O)C | |
| TCMBANKIN024550 | 3β-[(α-l-arabinopyranosyl)oxy]-urs-12,19(29)-dien-28-oicacid | C35H54O7 | CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(CO6)O)O)O)C)C)C2C1=C)C)C(=O)O | ||
| TCMBANKIN024747 | methyl dihydrojasmonate | SCHEMBL113648; Jsp004945 | C13H22O3 | 226.31 g/mol | CCCCCC1C(CCC1=O)CC(=O)OC |
| TCMBANKIN025069 | sanguiinh1 | sanguiin h1 | C34H26O22 | 786.6 g/mol | C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C3C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5C6=C(C(=C(C=C6C(=O)O3)O)O)O)O)O)O)O |
| TCMBANKIN026553 | Arborinol methy ether | 424.83 | |||
| TCMBANKIN026948 | 3β-[(α-l-arabinopyranosyl)oxy]-19α-hydroxy-olean-12-en-28-oicacid | C35H56O8 | |||
| TCMBANKIN027270 | 3β-[(α-l-arabinopyranosyl)oxy]-19α-hy-droxyurs-12-en-28-oicacid 28-β-d-glucopyra-nosyl ester | C41H66O13 | |||
| TCMBANKIN027449 | 1-methyl-phenol | C7H10O | 110.15 g/mol | CC1(CC=CC=C1)O | |
| TCMBANKIN027652 | 3 ', 4'-dimethylphenyl Quercetin | ||||
| TCMBANKIN028082 | ziyu glycoside ii | (1R,4aS,6bR,10S,12aR,14bS)-1-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-10-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid; ziyu-glycoside ii; AC1O44KH | C35H56O8 | 604.8 g/mol | CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(CO6)O)O)O)C)C)C2C1(C)O)C)C(=O)O |
| TCMBANKIN028342 | sanguisorbin a | ||||
| TCMBANKIN029137 | 3β-[(α-l-arabinopyranosyl)oxy]urs-12,18-dien-28-oicacid | C35H54O7 | CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(CO6)O)O)O)C)C)C2=C1C)C)C(=O)O | ||
| TCMBANKIN029178 | sanguiinh7 | sanguiin h7 | C34H26O23 | 802.6 g/mol | C1C2C(C(C(C(O2)O)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)OC(=O)C4=C(C5=C(C(=C(C=C5C(=O)O1)O)O)O)C(=C(C(=C4OC6=CC(=CC(=C6O)O)C(=O)O)O)O)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 |
| TCMBANKIN030711 | sanguiinh11 | sanguiin h-11 ; sanguiin h11 | C41H28O26 | 936.6 g/mol | C1C2C(C3C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5C6=C(C(=C(C=C6C(=O)O3)O)O)O)O)O)O)OC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O1)O)O)O)O)O)O |
| TCMBANKIN032352 | 7-methyoxy-benzofuran | ||||
| TCMBANKIN032988 | 3β-[(α-l-arabinopyranosyl)oxy]-19β-hydroxy-urs-12,20(30)-dien-28-oicacid | C35H54O8 | CC1(C2CCC3(C(C2(CCC1OC4C(C(C(CO4)O)O)O)C)CC=C5C3(CCC6(C5C(C(=C)CC6)(C)O)C(=O)O)C)C)C | ||
| TCMBANKIN033960 | 3,4,4-tri-o-methylellagic acid | 3, 4, 4-tri-o-methylellagic acid | |||
| TCMBANKIN034198 | acetic acid | AI3-02394; NSC132953; Azijnzuur [Dutch]; Acido acetico [Italian]; Essigsaeure [German]; InChI=1/C2H4O2/c1-2(3)4/h1H3,(H,3,4; Pyroligneous acid; CARBOXYMETHYL GROUP; Caswell No. 003; 45727_FLUKA; A8976_SIAL; A6283_SIAL; 64-19-7; BRN 0506007; 318590_ALDRICH; 45730_FLUKA; 77671-22-8; cellulose diacetate; Acetic acid solution, with more than 10% and less than 50% acid, by mass [UN2790] [Corrosive]; 9035-69-2; 49199_FLUKA; Cellulose diacetate [USAN]; Cellulose, diacetate; FEMA Number 2006; W200611_ALDRICH; CBM; 320099_SIAL; Methanecarboxylic acid; 45726_FLUKA; NCIOpen2_000682; Glacial acetic acid; Acetic acid (JP15/NF); ethanoic acid; 207004-55-5; Otic Tridesilon; 40209_RIEDEL; Acetic acid, propionic acid distillate; NSC406306; 537020_SIAL; 45725_FLUKA; WLN: QV1; LS-2535; Acetic acid, glacial; 27225_RIEDEL; Ethylic acid; AKOS006290339; 07692_FLUKA; ACY; NSC 132953; ACT; 33206_RIEDEL; EPA Pesticide Chemical Code 044001; 380121_SIAL; W200603_ALDRICH; Acetic acid, glacial (USP); ethoic acid; Acetic acid, glacial or acetic acid solution, >80% acid, by mass [UN2789] [Corrosive]; 34254_RIEDEL; 4-02-00-00094 (Beilstein Handbook Reference); 46928_SUPELCO; Acido acetico; C00033; Acetasol (TN); Acetic acid solution, not less than 50% but more than 80% acid, by mass [UN2790] [Corrosive]; Carboxylic acids, C2-3; CHEBI:15366; Acetic acid, of a concentration of more than 10 per cent, by weight, of acetic acid; 45732_FLUKA; Acetic acid [JAN]; Octowy kwas [Polish]; Essigsaeure; Vinegar acid; 242853_SIAL; Glacial acetic acid (JP15); 38050_RIEDEL; A9967_SIAL; LS-1541; 38051_RIEDEL; Kyselina octova [Czech]; ST5213882; Acetate standard for IC; 33209_RIEDEL; UN2790; 40273_RIEDEL; Azijnzuur; Acetic acid solution; Acetic acid (natural); D00010; LMFA01010002; 27218_RIEDEL; Acetic acid, aqueous solution; HSDB 40; 68475-71-8; 34255_RIEDEL; NCIOpen2_000659; 34256_RIEDEL; FEMA No. 2006; CCRIS 5952; Acide acetique; Acetic acid, diluted; Acetasol; Octowy kwas; 71251_FLUKA; 338826_SIAL; EINECS 200-580-7; 13669_FLUKA; Acide acetique [French]; CH3-COOH; 45754_FLUKA; 157090-22-7; Acetic acid, water solutions; UN2789 | C5H10O3 | 118.13 | CC(=O)NCCC1=CN(C2=C1C=C(C=C2)OC)C(=O)C3=CC=C(C=C3)Cl |
| TCMBANKIN035002 | sanguiinh9 | sanguiin h9 | C54H42O36 | 1266.9 g/mol | C1C2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)OC4=C(C(=C(C5=C4C(=O)OC6C(COC(=O)C7=CC(=C(C(=C75)O)O)O)OC(C(C6O)O)OC(=O)C8=CC(=C(C(=C8)O)O)O)O)O)O)O)O)O)O)OC(=O)C9=CC(=C(C(=C9C2=C(C(=C(C=C2C(=O)O1)O)O)O)O)O)O |
| TCMBANKIN035264 | 3β-[(α-l-arabinopyranosyl)oxy]urs-12,19(29)-dien-28-oicacid 28-β-d-glucopyranosyl ester | C41H64O12 | CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(CO6)O)O)O)C)C)C2C1=C)C)C(=O)OC7C(C(C(C(O7)CO)O)O)O | ||
| TCMBANKIN035482 | procyanidin A1 | epicatechin-(4β-8,2-O-7)-catechin; procyanidin a1 | C30H24O12 | 576.5 g/mol | C1C(C(OC2=C1C(=CC3=C2C4C(C(O3)(OC5=CC(=CC(=C45)O)O)C6=CC(=C(C=C6)O)O)O)O)C7=CC(=C(C=C7)O)O)O |
| TCMBANKIN035875 | 4-ethyl-benzoyl-paeoniflorin | ||||
| TCMBANKIN036155 | Ziziphin | SCHEMBL350002; CHEBI:10120; 73667-51-3; AC1L9C02; ziziphin; C08991 | C51H80O18 | 981.17 | CC1C(C(C(C(O1)OC2COC(C(C2O)O)OC3CCC4(C5CCC6C7C(CC(OC78CC6(C5(CCC4C3(C)C)C)CO8)C=C(C)C)(C)OC9C(C(C(C(O9)C)O)OC(=O)C)OC(=O)C)C)O)O)O |
| 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-] |
| TCMBANKIN038513 | Methyl 2,3,4,6-tetra-O-galloyl-beta-D-glucopyranoside | methyl 2,3,4,6-tetra-o-galloyl-β-d-glucopyra-noside | C35H30O22 | 802.6 g/mol | c1(O[H])c(O[H])c([H])c(C(OC([H])([H])[C@@]2([H])O[C@]([H])(OC([H])([H])[H])[C@]([H])(OC(c3c([H])c(O[H])c(O[H])c(O[H])c3[H])=O)[C@@]([H])(OC(c4c([H])c(O[H])c(O[H])c(O[H])c4[H])=O)[C@]2([H])OC(c5c([H])c (O[H])c(O[H])c(O[H])c5[H])=O)=O)c([H])c1O[H] |
| TCMBANKIN038809 | Methyl 6-O-digalloyl-β-D-glucopyranoside II | ||||
| TCMBANKIN039565 | Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside | [(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-methoxy-2-[(3,4,5-trihydroxyphenyl)carbonyloxymethyl]oxan-3-yl] 3,4,5-trihydroxybenzoate; 3,4,5-trihydroxybenzoic acid [(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-methoxy-2-[(3,4,5-trihydroxybenzoyl)oxymethyl]tetrahydropyran-3-yl] ester; 3,4,5-trihydroxybenzoic acid [(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-methoxy-2-[[oxo-(3,4,5-trihydroxyphenyl)methoxy]methyl]-3-tetrahydropyranyl] ester; [(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-methoxy-2-[(3,4,5-trihydroxybenzoyl)oxymethyl]tetrahydropyran-3-yl] 3,4,5-trihydroxybenzoate; [(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-methoxy-2-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-3-yl] 3,4,5-trihydroxybenzoate; methyl 4,6-di-o-galloyl-beta-d-glucopyranoside; methyl 4,6-di-o-galloyl-β-d-glucopyranoside | C21H22O14 | 498.391 | c1(O[H])c([H])c(C(OC([H])([H])[C@]([H])([C@@]([H])(OC(=O)c2c([H])c(O[H])c(O[H])c(O[H])c2[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]3([H])OC([H])([H])[H])O3)=O)c([H])c(O[H])c1O[H] |
| TCMBANKIN039925 | rosamultin | CHEMBL501885; [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] (1R,2R,4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-1,10,11-trihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate; .beta.-D-Glucopyranose, 1-O-[(2.alpha.,3.beta.)-2,3,19-trihydroxy-28-oxours-12-en-28-yl]-; rosamultin ; ZINC67902677; 88515-58-6; Rosamultin; Rosamutin | C36H58O10 | 651 | [C@@]1([H])(C([H])([H])[H])[C@@](C([H])([H])[H])(O[H])[C@@]([H])(C(=C([H])C([H])([H])[C@]([H])([C@@](C([H])([H])[H])(C([H])([H])[C@@]([H])(O[H])[C@@]([H])(O[H])C2(C([H])([H])[H])C([H])([H])[H])[C@@]2( [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(C(=O)O[C@@]6([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(C([H])([H])O[H])O6)C([H])([H ])C1([H])[H] |
| TCMBANKIN044517 | 34-O-Acetyltetratriacontanylferulate | ||||
| TCMBANKIN044562 | l-beta-cyanolanine | 114.103 | |||
| TCMBANKIN045329 | methyl 3,4,6-tri-o-galloyl-β-d-glucopyranoside | Methyl 3-O,4-O,6-O-trigalloyl-beta-D-glucopyranoside; [(2R,3R,4R,5R,6R)-5-hydroxy-6-methoxy-3,4-bis[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate; AC1NSYMS; methyl 3,4,6-tri-o-galloyl-beta-d-glucopyranoside | C28H26O18 | 650.5 g/mol | COC1C(C(C(C(O1)COC(=O)C2=CC(=C(C(=C2)O)O)O)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)O |
| TCMBANKIN045380 | Methyl 2,3,6-tri-O-galloyl-β-D-glucopyranoside | methyl 2,3,6-tri-o-galloyl-beta- d-glucopyranoside | 650.5 g/mol | ||
| 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 |
| TCMBANKIN046251 | 5-methyoxymarmesin | C15H16O5 | CC(C)(C1CC2=C(O1)C=C3C(=C2OC)C=CC(=O)O3)O | ||
| TCMBANKIN050197 | Sanguisorbin E | sanguisorbin E | 792.99 | ||
| TCMBANKIN058004 | trigonelline | Prestwick_70; N-Methylnicotinic acid betaine hydrochloride; 1-methyl-3-pyridin-1-iumcarboxylate hydrochloride; MFCD00077250; SCHEMBL468365; A833196; trigonelline ; trigonelline HCl; 1-methylpyridin-1-ium-3-carboxylate hydrochloride; AC1O4WFS; 1-Methylpyridinium-3-carboxylate hydrochloride; T-6500; CHEMBL489961; trigonellin; gynesine; trigonelline | C7H7NO2 | 137.14 g/mol | C[N+]1=CC=CC(=C1)C(=O)[O-] |
| TCMBANKIN058044 | (Z)-9,17-octadecadienal | (9Z)-octadeca-9,17-dienal; (9Z)-9,17-Octadecadienal; 9,17-Octadecadienal, (Z)-; 56554-35-9; 9,17-OCTADECADIENAL (Z) | C18H32O | 264.4 g/mol | C=CCCCCCCC=CCCCCCCCC=O |
| TCMBANKIN058060 | gallic acid | Spectrum4_001544; NSC-755825; 4CN-0954; KBio2_000822; NCGC00260064-01; KBio3_001168; CHEBI:30778; GTPL5549; D0Y3TZ; NCGC00091125-01; 632XD903SP; ARONIS23903; Spectrum5_000108; Jsp002851; T7419; Gallic acid, puriss., 98.0%; I14-9302; NCGC00091125-07; ZINC1504; 3,4,5-trihydroxybenzoic acid (ACD/Name 4.0); KBioGR_002008; AK-65266; pyrogallol-5-carboxylate; BRD-K77345217-001-01-9; Gallicum acidum; LNTHITQWFMADLM-UHFFFAOYSA-N; KBio2_003390; EBD679760; NCGC00091125-04; AJ-08037; Gallic acid; ZB000350; BG01502846; A808977; (?)-Gallic acid; WLN: QVR CQ DQ EQ; N1830; AC1NEVA5; SBB008781; 149-91-7; GALLIC ACID ANHYDROUS; Gallic acid [NF]; KS-00000IWM; CS-8191; LS-870; C01424; KS-00004784; CHEBI:16918; SPECTRUM210369; c0006; UNII-632XD903SP; ACMC-20aku5; CTK0H5618; BIDD:ER0374; AC1Q732X; NCGC00091125-02; F1908-0156; Oprea1_087792; CG0029; DSSTox_RID_75711; Kyselina 3,4,5-trihydroxybenzoova; 3-10-00-02070 (Beilstein Handbook Reference); RP23206; NSC36997; Gallic acid, certified reference material, TraceCERT(R); AI3-16412; CCG-38670; STK298718; Tox21_202515; bmse000389; AN-15162; AB00052697_03; SR-05000001537-2; NSC-36997; 1886-EP2374526A1; 5-Carboxybenzene-1,2,3-triol; KBio2_005958; SR-05000001537-3; NCGC00091125-05; KBio1_001347; Kyselina gallova [Czech]; KSC175M1R; KBioSS_000822; HMS2091A07; gallate; CPD-183; Spectrum3_000254; 78563C7D-0E2D-4766-A8EA-670A03C78FCF; gallic acid ; InChI=1/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12; GDE; SBI-0052184.P002; EINECS 205-749-9; CAS-149-91-7; Kyselina gallova; J3.617.291F; Benzoic acid, 3,4,5-trihydroxy-; BG00601456; DivK1c_006403; Benzoic acid,4,5-trihydroxy-; gallic acid for microelectronic industrial; BRN 2050274; Gallic acid tech.; NCGC00091125-03; Kyselina 3,4,5-trihydroxybenzoova [Czech]; Gallic acid, 97.5-102.5% (titration); gallicacid; 3,4,5-Trihydroxybenzoic acid, anhydrous; NSC674319; TR-020762; 3,4,5-tris(oxidanyl)benzoate; MCULE-1552954312; Gallic acid polymer; Pharmakon1600-00210369; BSPBio_001668; Tox21_111089; HMS1923K07; CCRIS 5523; BDBM50085536; NSC-674319; ST2404570; BB_SC-2795; AC-1206; 3,4,5-trihydroxy-Benzoic acid; Gallic Acid Hydrate; AC1L1934; RTR-020762; GALOP; Q-201146; SR-05000001537-1; DSSTox_CID_650; 3,4,5-Trihydroxybenzoic acid monohydrate, ACS, 98.0% min. 100g; 3,4,5-Trihydroxybenzoic acid ion; GALLICACID; s4603; CHEMBL288114; Gallic acid, tech.; NSC20103; 3,4,5-Trihydroxybenzoic acid; NSC755825; G0011; AB1002218; Gallic Acid, F; MolPort-000-881-260; NSC 674319; SPBio_000617; LNTHITQWFMADLM-UHFFFAOYSA-M; Spectrum_000342; PS-8710; SC-46383; FT-0626592; BBL009937; MFCD00002510; SpecPlus_000307; 3,4,5-trihydroxy-Benzoate; SCHEMBL15012; DSSTox_GSID_20650; ST083487; SR-05000001537; 3,5-Trihydroxybenzoic acid; 3,4,5-Trihydroxybenzoate, X; Tox21_111089_1; Gallic acid (Monohydrate or Anhydrous) (3,4,5-Trih; 3,4,5-Trihydroxybenzoic acid;; Z966690556; 3,4,5-Trihydroxybenzoate; SDCCGMLS-0066503.P001; Pyrogallol-5-carboxylic acid; BC200279; Spectrum2_000399; HY-N0523; HSDB 2117; AC1Q732Y; DTXSID0020650; 5-Trihydroxybenzoic acid; AKOS000119625; NSC 20103; Gallic acid, tech; 138-57-8; NSC-20103; AIDS-001349; gallate; CPD-183; Spectrum3_000254; KBio2_000822; Gallic acid monohydrate; AIDS-059239; KBio3_001168; Gallic acid, tech.; NSC20103; 3,4,5-Trihydroxybenzoic acid; InChI=1/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12; C01424; CHEBI:30778; EINECS 205-749-9; CHEBI:16918; NCGC00091125-01; c0006; J3.617.291F; SPECTRUM210369; Benzoic acid, 3,4,5-trihydroxy-; DivK1c_006403; NSC 674319; SPBio_000617; LNTHITQWFMADLM-UHFFFAOYSA-M; Spectrum_000342; Spectrum5_000108; NCGC00091125-02; BRN 2050274; Oprea1_087792; NCGC00091125-03; 3-10-00-02070 (Beilstein Handbook Reference); SpecPlus_000307; Kyselina 3,4,5-trihydroxybenzoova [Czech]; KBioGR_002008; AI3-16412; NSC674319; pyrogallol-5-carboxylate; 3,4,5-tris(oxidanyl)benzoate; AIDS001349; KBio2_003390; Gallic acid polymer; 1886-EP2374526A1; ZB000350; Gallic acid; BSPBio_001668; KBio2_005958; AIDS059239; CCRIS 5523; 3,4,5-Trihydroxybenzoate; SDCCGMLS-0066503.P001; Pyrogallol-5-carboxylic acid; A808977; 27645_RIEDEL; KBio1_001347; 398225_SIAL; Kyselina gallova [Czech]; WLN: QVR CQ DQ EQ; Spectrum2_000399; HSDB 2117; G7384_SIGMA; KBioSS_000822; GALOP; AC1NEVA5; SBB008781; 3,4,5-Trihydroxybenzoic acid monohydrate, ACS, 98.0% min. 100g; NSC 20103; 3,4,5-Trihydroxybenzoic acid ion; 149-91-7; 3,4,5-trihydroxybenzoic acid; Galllic acid | C7H6O5 | 170.12 | C1=C(C=C(C(=C1O)O)O)C(=O)O |
| TCMBANKIN058061 | quebracho | Quebracho extract; W304204_ALDRICH; AIDS020846; Gallotannin; 96311_FLUKA; beta-D-Glucose pentakis(3,4-dihydroxy-5-((3,4,5-trihydroxybenzoyl)oxy)benzoate); .Beta.-D-glucopyranose, pentakis[3,4-dihydroxy-5-[(3,4,5-trihydroxybenzoyl)oxy]benzoate]; Tannin; EINECS 226-562-9; 5424-20-4; Gallotannic acid; CHEMBL1159467; 403040_SIAL; Tannin (Tannic acid); AIDS-020846; 16201_RIEDEL; T0200_SIAL; gallotannic acid; tannin | C76H52O46 | 1701.2 g/mol | C1=C(C=C(C(=C1O)O)O)C(=O)OC2=CC(=CC(=C2O)O)C(=O)OCC3C(C(C(C(O3)OC(=O)C4=CC(=C(C(=C4)OC(=O)C5=CC(=C(C(=C5)O)O)O)O)O)OC(=O)C6=CC(=C(C(=C6)OC(=O)C7=CC(=C(C(=C7)O)O)O)O)O)OC(=O)C8=CC(=C(C(=C8)OC(=O)C9=CC(=C(C(=C9)O)O)O)O)O)OC(=O)C1=CC(=C(C(=C1)OC(=O)C1=CC(=C(C(=C1)O)O)O)O)O |
| TCMBANKIN058062 | sanguiinh4 | sanguiin h4 | C27H22O18 | 634.5 g/mol | C1=C(C=C(C(=C1O)O)O)C(=O)OC2C3C(C(C(O2)CO)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O3)O)O)O)O)O)O |
| TCMBANKIN058126 | chrysanthemin | cyanidin-3-glucoside; Chrysanthemin; LMPK12010110; cyanidin 3-glucoside; Cyanidin 3-O-glucoside; cyanidin 3-o-glucoside; cyanidin-3-O-glucoside | C28H58O | 410.76 | C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O |
| TCMBANKIN058130 | quercetin-３-Ｏ-galactoside | hyperin; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one; SMR000466394; C10073; ACon1_000623; Quercetin 3-O-beta-D-galactopyranoside; Quercetin-3-O-galactoside;p Hyperin; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-; 482-36-0; Hyperin; Quercetin 3-galactoside; AIDS026341; Hyperasid; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-chromenone; NSC 407304; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone; Quercetin-3-O-galactoside; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one; Hyperozide; AIDS-026341; MLS000759538; Quercetin 3-D-galactoside; EINECS 207-580-6; Quercetin-3-galactoside; Hyperin (8CI); Hyperoside; 2-(3,4-Dihydroxyphenyl)-3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one; 83388_FLUKA; MEGxp0_000392; Hyperosid; Quercetin 3-beta-D-galactopyranoside | C21H19O12- | 463.4 g/mol | C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)[O-] |
| TCMBANKIN058267 | vitamin b | NSC169454; SR-01000722017-4; Nicotinic acid, >=98%; [3H]nicotinic acid; Nicotinamide (JP15/INN); AC1Q73P3; C6H5NO2; 11054-EP2289510A1; NCGC00094734-02; AB00052050; HMS3655K08; Efacin; Nico-400; N1103; 11054-EP2298772A1; TR-032523; C00253; Nicosan 3; SPBio_000011; Nicotinic Acid [Matrix for MALDI-TOF/MS]; SPBio_002881; 5-22-02-00057 (Beilstein Handbook Reference); Niacinamide Astra Brand; Spectrum3_000515; ANW-75276; Bionic; 11054-EP2301923A1; SDCCGMLS-0066610.P001; Nicotinsaure [German]; Nicotinic acid, >=99.5% (HPLC); preventative factor; 28029-53-0 (cobalt(2+) salt); SR-01000722017-3; Acide nicotinique [INN-French]; 11054-EP2295409A1; NICO; InChI=1/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9; D00049; Jenapharm Brand of Niacinamide; Nicotinamide (TN); Niacin [USAN]; bmse000104; 1976-28-9 (aluminum salt); 11054-EP2311816A1; Apelagrin; AN-23622; KBio2_001543; ABT-919; Acido nicotinico; .beta.-Pyridinecarboxylic acid; Niaspan (TN); 11054-EP2270002A1; SR-01000722017-2; KB-33243; Pellagramin; NCGC00016268-02; DSSTox_CID_932; Merck Brand of Niacinamide; nicobid; beta-pyridinecarboxylic acid; BDBM23515; 3PyrCOOH; Nicotinic acid, BioReagent, suitable for cell culture, suitable for insect cell culture, suitable for plant cell culture, >=98%; Pellagra preventive factor; niacin; Prestwick0_000881; Nicotinic acid, Ph Eur; BPBio1_000730; Nicacid; UNII-2679MF687A; EBD2198325; NCGC00016268-08; 3-Carboxypyridine; ST097540; Z56755709; Davitamon PP; Nicotinamide (Niacinamide); Nicotinic acid, analytical standard; CPD000059024; 3-Pyridylcarboxylic acid; Pyridine-beta-carboxylic acid; KBioSS_001543; 11054-EP2305674A1; Nicotinic acid, for synthesis, 99%; Nicodon; Oprea1_514398; [5, 6-3H]-niacin; 636-79-3 (hydrochloride); Direktan; Niacin (Nicotinic Acid), Pharmaceutical Secondary Standard; Certified Reference Material; DB-007765; 11054-EP2298742A1; Nyclin; 11054-EP2316827A1; NSC-169454; 7069-06-9 (magnesium salt); 11054-EP2316826A1; Niacor; niacine; MLS000069603; AC-907/25014105; GTPL1594; Spectrum5_001287; RP00705; niacin potassium; BSPBio_002069; STR00112; IDI1_000695; LS-2334; AM81316; NAH; P.P. factor-pellagra preventive factor; AC-22484; Vitaplex N; Nicodan; 3789-96-6 (tartrate); 11054-EP2311829A1; AB1002056; Niacinamide Merck Brand; Spectrum4_000965; Pyridinecarboxylic acid, 3-; CCRIS 1902; 11054-EP2308838A1; SBI-0051456.P003; 11054-EP2280001A1; Nicotinic acid [INN]; PubChem2594; Nicovasen; 54-86-4 (hydrochloride salt); 11054-EP2274983A1; 11054-EP2308854A1; NCGC00016268-04; MCULE-3788394698; Nicagin; nicolar; NIASPAN TITRATION STARTER PACK; AB00052050-13; ST2413625; J-523605; 36321-41-2 (ammonium salt); Acido nicotinico [INN-Spanish]; Akotin; EINECS 200-441-0; SBB004279; 11054-EP2311830A1; Niacin, United States Pharmacopeia (USP) Reference Standard; Acidum nicotinicum; Nikasan; SR-01000722017; AK-46486; Enduracin; CS-1946; Nicotinic acid, certified reference material, TraceCERT(R); Induracin; Nico-Span; antipellagra vitamin; 3-pyridine carboxylic acid; Nicoside; Nicotinic acid, purum, >=99.0% (HPLC); CHEMBL573; Pyridylcarboxylic Acid; Tinic; 11054-EP2295424A1; EPA Pesticide Chemical Code 056701; Nicotine acid; Ncotnc acd; 11054-EP2305651A1; pellagra; Nicorol; 5-pyridinecarboxylic acid; NCGC00094734-01; 11054-EP2298776A1; 3-Picolinic acid; Niacin; Pellagra preventive factor; Pyridine-3-carboxylic acid; Vitamin B3; KBioGR_001309; 11054-EP2308848A1; KSC236Q9T; Nipellen; Niacin (USP); 3-pyridinecarboxylic acid; Vitamin B3 (Niacin); KBio2_006679; NCI60_001041; HMS2236A05; AB00052050_14; Nicotinic acid, matrix substance for MALDI-MS, >=99.5% (HPLC); HMS2097B04; Spectrum2_000006; 99148-57-9 (tosylate); SCHEMBL1433; BSPBio_000662; MolPort-000-142-273; KBio3_001569; 10361-13-4 (iron(2+) salt); Tox21_110337_1; F2191-0082; Acide nicotinique; Nicotinic acid, European Pharmacopoeia (EP) Reference Standard; 11054-EP2269990A1; 11054-EP2308858A1; M-5918; 11054-EP2275401A1; Nicotinic acid, plant cell culture tested; Nicotinic acid, SAJ special grade, >=99.5%; Niacinamide (TN); HMS3714B04; STK301803; Pelonin; Niconazid; Prestwick2_000881; Nicovasan; 11054-EP2270014A1; Niacinamide Pharmagenix Brand; Pharmakon1600-01500430; Pyridine-carboxylique-3 [French]; SK-Niacin; Prestwick1_000881; Nikazan; EC 200-441-0; PP Factor; AKOS000118980; HY-B0143; Tox21_110337; HMS3371E07; WLN: T6NJ CVQ; Nicotene; Nicotinic acid [INN:BAN]; CAS-59-67-6; 11054-EP2316458A1; Kyselina nikotinova [Czech]; P.P. factor; Pyridine-3-carboxylic acid; Niacin (nicotinic acid); Tox21_201420; L001199; NCGC00016268-09; nicocap; I02-0699; nicotinic acid; Niconat; ZINC1795; Niacin [USP]; Diacin; 11054-EP2272825A2; Kyselina nikotinova; FC1287; Nicotinic acid-d3(major); CHEBI:15940; 823-77-8 (calcium salt); Niacor (TN); DSSTox_RID_75875; NCGC00256537-01; Nicotamin; GTPL1588; 2679MF687A; ACMC-1AS6M; [3H]-Nicotinic acid; SPECTRUM1500430; Acidum nicotinicum [INN-Latin]; HMS1570B04; 11054-EP2301937A1; KBio1_000695; BP-21419; Niacinamide Jenapharm Brand; AJ-08093; Nicotinic acid, NIST(R) SRM(R) 148; niacin magnesium; Nicyl; S115; Tega-Span; 11054-EP2269610A2; KBio2_004111; AC1L1AD5; NCGC00016268-01; Niacinamide, Nicotinic acid amide, Nicotinamide; Opera_ID_1346; Nicotinic acid, 99% 250g; 3-Pyridyl carboxylic acid; Nicocidin; nicotinate; s1744; SR 4390; DTXSID1020932; Nicotinsaure; 16518-17-5 (potassium salt); Nicotinic acid, Vetec(TM) reagent grade, >=98%; 11054-EP2308839A1; Linic; BIDD:GT0644; NC00524; wampocap; NCGC00016268-03; Nicotinic acid, for inorganic trace analysis, >=99.999% (metals basis); AB00052050_15; Nicosyl; CCG-38340; D06NVJ; 11054-EP2301935A1; 11054-EP2308874A1; Nikotinsaeure; SC-05611; Pyridine-3-carbonic acid; Nicodelmine; 53890-72-5 (lithium salt); 11054-EP2311808A1; SMR000059024; Daskil; NSC 169454; MFCD00006391; PS-4255; HMS502C17; 11054-EP2272848A1; FT-0082580; Pyridine-.beta.-carboxylic acid; DivK1c_000695; 11054-EP2295406A1; Niacin-Vitamin B3; N0082; BRN 0109591; 3-Carboxylpyridine; 11054-EP2316828A1; Niac; NCGC00258971-01; 3-Picolinic acid; 11054-EP2292610A1; NINDS_000695; 11054-EP2292228A1; FT-0600004; Astra Brand of Niacinamide; Nicotinic Acid 1.0 mg/ml in Methanol; 11054-EP2272834A1; HMS3259K21; Niacin (TN); Nicotinic acid (JP17/INN); NSC-757241; Prestwick3_000881; Niaspan; Slo-niacin; SAM002554917; HMS2091H22; Pharmagenix Brand of Niacinamide; 59-67-6; NCGC00016268-05; Tox21_302904; Pellagrin; Caswell No. 598; 11054-EP2277848A1; 3DDB011E-F3A6-45B6-A2D2-77B2A6E8936E; 11054-EP2301929A1; 11054-EP2311817A1; Naotin; m-Pyridinecarboxylic acid; vitamin B3; HSDB 3134; Peviton; nicamin; Nicotinic acid (Vitamin B3) solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material; Nicangin; Spectrum_001063; Pyridine-carboxylique-3; KB-259513; 11054-EP2298779A1; Nicocrisina; DB00627; 11054-EP2316825A1; AI3-18994; PVNIIMVLHYAWGP-UHFFFAOYSA-N; 11054-EP2316457A1; I14-92791; anti-Pellagra vitamin; 28029-54-1 (manganese(2+) salt); NSC757241; 123574-58-3; Nicotil; HMS1920P17; Nicotinipca; 3-Pyridinecarboxylicacid; 11054-EP2314588A1; Niconacid; NIO; Nicotinic acid, meets USP testing specifications; DSSTox_GSID_20932; Nicotinamide-carbonyl-14C | C5H4NCOOH | 123.11 g/mol | C1=CC(=CN=C1)C(=O)O |
| TCMBANKIN058288 | catechol | 430749_ALDRICH; Catechin (phenol); Pyrokatechin [Czech]; NCGC00015283-01; Catechol-UL-14C; NCI-C55856; CI Oxidation Base 26; CHEBI:18135; benzene-1,2-diol; C15571; 120-80-9; InChI=1/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8; C9510_SIAL; Fouramine PCH; 135011_SIAL; Lopac-C-9510; 2-hydroxyphenol; NSC 1573; NCGC00091262-01; Fourrine 68; o-Diphenol; C.I. Oxidation Base 26; o-Dioxybenzene; C00090; ST5214346; (1,2,3,4,5,6-(1)?C?)BENZENE-1,2-DIOL; AB-131/40235236; Lopac0_000280; ortho-Benzenediol; Catechol (phenol); ortho-Hydroquinone; ZINC00330145; 16474-90-1; pyrocatechol; benzenediol; Brenzcatechin; 12385-08-9; C01785; EINECS 204-427-5; EU-0100280; nchembio801-comp10; o-Dihydroxybenzene; Durafur Developer CFouramine PCH; o-Hydroxyphenol; Phthalhydroquinone; 16474-89-8; Catechol-pyrocatechol; CCRIS 741; ACM19481108; AI3-03995; Pyrocatechinic acid; CI 76500; Durafur developer C; o-Phenylenediol; 1,2-dihydroxybenzene; ortho-Hydroxyphenol; Oxyphenic acid; BRN 0471401; c0097; pyrocatechol-ul-14C; CAQ; 37349-32-9; ortho-Dihydroxybenzene; AIDS-108194; C3561_SIAL; o-Benzenediol; ortho-Dioxybenzene; Katechol [Czech]; Pelagol Grey C; Pyrokatechol [Czech]; AIDS108194; Pyrocatechinic acidPyrocatechol; WLN: QR BQ; Pyrocatechine; 1,2-benzenediol; o-Hydroquinone; CATECHOL; Benzene, o-dihydroxy-; pyrocatechin; ortho-Phenylenediol; HSDB 1436; C9593_SIGMA; NSC1573; C.I. 76500;pyrocatechol;o-hydroquinone;o-phenylenediol;1,2-benzenediol | C6H6O2 | 110.11 g/mol | C1=CC=C(C(=C1)O)O |
| TCMBANKIN058397 | PEY | AIDS017523; Phenanthrene, pure; Phenanthrene; Phenanthracene; 48569_SUPELCO; 77470_FLUKA; EINECS 201-581-5; NSC 26256; AIDS-017523; CCRIS 1233; HSDB 2166; P11425_ALDRICH; WLN: L B666J; Phenanthren; 85-01-8; c0431; CHEBI:28851; Phenanthren [German]; 9,10-Dehydrophenanthrene; C11422; Ravatite; 260878_ALDRICH; NCGC00091177-02; Phenanthrin; Phenanthrene solution; 40079_SUPELCO; NCGC00091177-01; NSC26256; PHENANTHRENE-RING; Coal tar pitch volatiles: phenanthrene; InChI=1/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10; 48661_SUPELCO; AI3-00790; P11409_ALDRICH; CTK7C1431; 1-BROMO-6-FLUORO-3,4-DIHYDRO-PHENANTHRENE; AKOS015963696; phenanthrene | C14H10 | 178.23 g/mol | C1=CC=C2C(=C1)C=CC3=CC=CC=C32 |
| TCMBANKIN058399 | 1,2-benzisothiazole | 1,2-benzothiazole;1,2-BENZISOTHIAZOLE; CCRIS 6347; 272-16-2; Benzo[d]isothiazole | C7H5NS | 135.19 g/mol | C1=CC=C2C(=C1)C=NS2 |
| TCMBANKIN058405 | dibenzofuran | DBFA806467; SCHEMBL5834531 Dibenzol(b,d)furan; BCR337_FLUKA; Dibenzofurans; 214827-48-2; 236373_ALDRICH; CHEBI:28145; ZINC03861058; InChI=1/C12H8O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8; dibenzofuran; AI3-00039; Dibenzo(b,d)furan; AIDS018166; NCGC00164102-01; CPD-926; Dibenzo[b,d]furan; 2,2'-Biphenylene oxide; diphenylene oxide; EINECS 205-071-3; 132-64-9; NSC1245; AIDS-018166; c0039; NSC 1245; 2,2'-Biphenylylene oxide; [1,1'-Biphenyl]-2,2'-diyl oxide; 442549_SUPELCO; (1,1'-Biphenyl)-2,2'-diyl oxide; CCRIS 1436; HSDB 2163; C07729; | C12H8O | 168.19 | C1=CC=C2C(=C1)C3=CC=CC=C3O2 |
| TCMBANKIN058411 | napthalene | Caswell No. 587; Naphthalene (molten); 91-20-3; NPY; 8,8-dimethyl-7,8-dihydropyrano[3,2-g]chromene-2,6-dione; 6,7-Dihydro-8,8-dimethyl-2h,8h-benzo(1,2-b:5,4-b')dipyran-2,6-dione; WEDGVCZUPFZNDE-UHFFFAOYSA-N; WLN: L66J; 8,8-Dimethyl-7,8-dihydro-2H,6H-pyrano[3,2-g]chromene-2,6-dione #; Naphthene; 48641_SUPELCO; 8,8-Dimethyl-7,8-dihydro-pyrano[3,2-g]chromene-2,6-dione; 13,13-DIMETHYL-4,14-DIOXATRICYCLO[8.4.0.0(3),?]TETRADECA-1,3(8),6,9-TETRAENE-5,11-DIONE; DTXSID10167830; NAPHTHALENE; HSDB 184; InChI=1/C14H12O4/c1-14(2)7-10(15)9-5-8-3-4-13(16)17-11(8)6-12(9)18-14/h3-6H,7H2,1-2H; nchembio791-comp1; Albocarbon; CHEBI:16482; NCI-C52904; 84679_FLUKA; NCGC00090793-01; Naftalen [Polish]; Naphthalene-UL-14C; Di(C5-C6)alkylnaphthalene; Naphthalene, di-C5-6-alkyl derivs.; Dezodorator; CCRIS 1838; NSC 37565; Naphtalene [ISO:French]; White tar; InChI=1/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8; 8,8-dimethyl-2H,6H,7H,8H-pyrano[3,2-g]chromene-2,6-dione; 6,7-Dihydro-8,8-dimethyl-2H,8H-benzo[1,2-b:5,4-b']dipyran-2,6-dione; c0333; N3145_SIGMA; AI3-00278; 2,2-dimethyl-3H-pyrano[5,6-g]chromene-4,8-quinone; Moth balls; Naphthalene solution; NCGC00090793-02; NSC37565; Mighty RD1; Camphor tar; Mothballs; 16499-05-1; 40053_SUPELCO; 8,8-dimethyl-7,8-dihydropyrano[3,2-g]chromen-2,6-dione; Naphthaline; Naphthalene, crude or refined; Tar camphor; UN1334; Naphthalene, molten; 2H,6H-Benzo[1,2-b:5,4-b']dipyran-2,6-dione, 7,8-dihydro-8,8-dimethyl-; EINECS 202-049-5; Moth flakes; RCRA waste no. U165; Graveolone; NAPHTHALENE-RING; 48546_SUPELCO; AC1L42XS; Naphthalene, crude or refined [UN1334] [Flammable solid]; EPA Pesticide Chemical Code 055801; 8,8-Dimethyl-7,8-dihydro-2H,6H-pyrano[3,2-g]chromene-2,6-dione; UN2304; 147141_ALDRICH; Naphthalene [BSI:ISO]; RCRA waste number U165; Naphthalene, molten [UN2304] [Flammable solid]; Naftalen; CTK8H1786; 2,2-dimethyl-3H-pyrano[3,2-g]chromene-4,8-dione; NAPHTHYL GROUP; C00829; naphtalene; Mighty 150; 72931-45-4; 8,8-DIMETHYL-7H-PYRANO[3,2-G]CHROMENE-2,6-DIONE; N7394_SIGMA; Naphthalin; 6,7-Dihydro-8,8-dimethyl-2H,8H-benzo-(1,2b:5,4')-dipyran-2,6-dione; 184500_ALDRICH; Naphthalene, pure; 68412-25-9 | C10H8 | 128.17 g/mol | C1=CC=C2C=CC=CC2=C1 |
| 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 |
| TCMBANKIN058521 | (-)-epicatechin-3-gallate | epicatechin-3-gallate; L-Epicatechin gallate; (-)-epicatechin gallate; (+)- Catechin gallate table; catechin gallate; 7-o-galloyl- (+) -catechin; (-)-epicatechin-3-o-gallate; (?)-epicatechin-3-o-gallate; (-)-Catechin gallate; Epicatechin gallate; (-)-Epicatechin-3-gallate; KBioSS_000794; 1257-08-5; DivK1c_006371; Spectrum2_000165; NSC 636594; KBioGR_001980; Epicatechol, 3-gallate, (-)- (8CI); [(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-3-yl] 3,4,5-trihydroxybenzoate; (−)-Epicatechin gallate; SPECTRUM210238; KBio2_003362; [(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychroman-3-yl] 3,4,5-trihydroxybenzoate; MEGxp0_000810; KBio1_001315; (-)-Epicatechin gallate; SpecPlus_000275; BSPBio_001632; KBio2_000794; SPBio_000029; (−)-cis-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-1(2H)-benzopyran-3,5,7-triol 3-gallate; Spectrum5_000080; SDCCGMLS-0066549.P001; Spectrum3_000246; E3893_SIAL; Spectrum_000314; Epicatechol, gallate (6CI); 3,4,5-trihydroxybenzoic acid [(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-3-yl] ester; KBio3_001132; Spectrum4_001540; Benzoic acid, 3,4,5-trihydroxy-, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester, (2R-cis)-; Benzoic acid, 3,4,5-trihydroxy-, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7- dihydroxy-2H-1-benzopyran-3-yl ester, (-)-cis-; AIDS000675; 3,4,5-trihydroxybenzoic acid [(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-chromanyl] ester; KBio2_005930; Benzoic acid, 3,4,5-trihydroxy-, (2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester; (−)-cis-3,3′,4′,5,7-Pentahydroxyflavane 3-gallate; AIDS-000675; catechin gallate ; catechin-3 gallate; CG; 7-o-galloyl-(+)-catechin; (-)-Epicatechin-3-O-gallate,; (-)-Epicatechin-3-gallate,; (-)-epicatechin 3-o-gallate ; SpecPlus_000275; (-)-Epicatechin gallate; KBioSS_000794; [(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychroman-3-yl] 3,4,5-trihydroxybenzoate; Benzoic acid, 3,4,5-trihydroxy-, (2S,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester; LMPK12020090; KBio2_003362; ECG; 92587OVD8Z; 1257-08-5; 3,4,5-Trihydroxybenzoic Acid (2R,3R)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl Ester; AS-15722; Benzoic acid, 3,4,5-trihydroxy-, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester, (2R-cis)-; UNII-92587OVD8Z; KBio3_001132; 3-Galloyl-(2R,3R)-(-)-Epicatechin; SR-05000002675; (-)-cis-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-1(2H)-benzopyran-3,5,7-triol 3-gallate; CCG-38376; (-) epicatechin gallate; NSC636594; 3,4,5-Trihydroxy-benzoic acid 2-(3,4-dihydroxy-phenyl)-5,7-dihydroxy-chroman-3-yl ester; 3-O-Galloylepicatechin; CHEMBL36327; BDBM50153015; (-)-epicatechingallate; Epicatechin gallate; (-)-cis-3,3',4',5,7-Pentahydroxyflavane 3-gallate; AM84365; Q-200002; Epicatechol, 3-gallate, (-)-; ZINC3978503; SCHEMBL39047; C-22380; KBio1_001315; (2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate; epi-Catechin 3-O-gallate; MolPort-001-740-964; (-)-epi-Catechin 3-O-gallate; DivK1c_006371; Epicatechol, gallate (6CI); (2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate; C22H18O10; Benzoic acid, 3,4,5-trihydroxy-, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7- dihydroxy-2H-1-benzopyran-3-yl ester, (-)-cis-; BRD-K50660797-001-01-0; NSC 636594; epicatechin-3-O-gallate; Epicatechin 3-gallate; (-)-Epicatechin-3-gallate; (-)-Epicatechin gallate,; (-)epicatechingallate; HY-N0002; epicatechin gallate, (2R-cis)-isomer; L-Epicatechin gallate; NCGC00179135-01; (-)-Epicatechin-3-O-gallate; KBio2_000794; SDCCGMLS-0066549.P001; CTK8E0233; epicatechin monogallate; CS-3761; BSPBio_001632; 3,4,5-Trihydroxy-benzoic acid (2R,3R)-2-(3,4-dihydroxy-phenyl)-5,7-dihydroxy-chroman-3-yl ester; 2.57E+87; AC-6037; AN-48941; Teatannin; Spectrum_000314; Spectrum5_000080; MEGxp0_000810; [(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate; Epicatechin gallate, primary pharmaceutical reference standard; Spectrum2_000165; (2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychroman-3-yl 3,4,5-trihydroxybenzoate; Benzoic acid, 3,4,5-trihydroxy-, (2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester; Epicatechol, gallate; NP-002326; AC1L32YN; 3-Galloyl-(-)-epicatechin; (-)-Epicatechin 3-O-gallate; SPECTRUM210238; SPBio_000029; ST24033389; AC1Q5X10; Epicatechol, 3-gallate, (-)- (8CI); KBio2_005930; AJ-47571; MCULE-8110076741; Spectrum4_001540; epicatechin gallate (ECG); E0890; [(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-3-yl] 3,4,5-trihydroxybenzoate; (-)-Epicatechin gallate, >=98% (HPLC), from green tea; AKOS015965216; SR-05000002675-1; 3-Gallate(-)-Epicatechol; CHEBI:70255; KB-277863; LS-38401; LSHVYAFMTMFKBA-TZIWHRDSSA-N; (-)-cis-3,3 inverted exclamation marka,4 inverted exclamation marka,5,7-Pentahydroxyflavane 3-gallate; MFCD00075936; AX8001457; AB0017581; KBioGR_001980; Spectrum3_000246; CE0014; Q429; AIDS-231457; [(2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychroman-3-yl] 3,4,5-trihydroxybenzoate; 3,4,5-trihydroxybenzoic acid [(2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-3-yl] ester; [(2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-3-yl] 3,4,5-trihydroxybenzoate; Benzoic acid, 3,4,5-trihydroxy-, (2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester; 3,4,5-trihydroxybenzoic acid [(2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-chromanyl] ester; AIDS231457; 3,4,5-trihydroxybenzoic acid [(2S,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-3-yl] ester; (-)-epicatechin gallate; epicatechin-3 gallate; 3,4,5-trihydroxybenzoic acid [(2S,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-chromanyl] ester; epicatechin gallate ; [(2S,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychroman-3-yl] 3,4,5-trihydroxybenzoate; Epicatechin-3-gallate; [(2S,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-3-yl] 3,4,5-trihydroxybenzoate; epicatechin gallate; Benzoic acid, 3,4,5-trihydroxy-, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester, cis-; Epicatechin-3-galloyl ester; 863-03-6 | C22H18O10 | 442.4 g/mol | C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O |
| TCMBANKIN058522 | procyanidin b5-3'-o-gallate | proanthocyanidins; amurensisin; procyanidin; Proantho Cyanidins; procyanidins; FT-0688150; AN-8386; 2-(3,4-DIHYDROXYPHENYL)-2-{[2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-3,4-DIHYDRO-2H-1-BENZOPYRAN-3-YL]OXY}-3,4-DIHYDRO-1-BENZOPYRAN-3,4,5,7-TETROL; Y0170; epicatechin-4alpha,8-epicatechin; 2-(3,4-dihydroxyphenyl)-2-[[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]-3,4-dihydrochromene-3,4,5,7-tetrol; 2-(3,4-dihydroxyphenyl)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-3-yl]oxy-chromane-3,4,5,7-tetrol; 4852-22-6; AC1L32WW; Procyanidin; AKOS025402316; 2-(3,4-dihydroxyphenyl)-2-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2h-chromen-3-yl]oxy}chromane-3,4,5,7-tetrol; Procyanidin B-5 3'-O-gallate; SCHEMBL15091123; LS-39919; MFCD01662851; Procyanidins; C30H26O13; 2-(3,4-Dihydroxyphenyl)-2-((2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl)oxy)-3,4-dihydro-2H-1-benzopyran-3,4,5,7-tetrol; AK321485; 3,3',4,4',5,7-Flavanhexol, 2-((2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-chromanyl)oxy)-; 2-(3,4-Dihydroxyphenyl)-2-((2-(3,4-dihydroxyphenyl)-5,7-dihydroxychroman-3-yl)oxy)chroman-3,4,5,7-tetraol; AC-8032; KS-00000PUZ; MolPort-009-758-937; 2H-1-Benzopyran-3,4,5,7-tetrol, 2-(3,4-dihydroxyphenyl)-2-((2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl)oxy)-3,4-dihydro-; DTXSID90858698; X1211; 20347-71-1; BG01192546; 852P226; BRN 1675863; AC1Q7ACM | C30H26O13 | 594.5 g/mol | C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC4(C(C(C5=C(C=C(C=C5O4)O)O)O)O)C6=CC(=C(C=C6)O)O |
| TCMBANKIN058561 | sanguiinh2 | sanguiin h2;sanguiin H-2 | C48H32O31 | 1104.7 g/mol | C1C2C(C3C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5C6=C(C(=C(C=C6C(=O)O3)O)O)O)O)O)O)OC(=O)C7=C(C8=C(C(=C(C=C8C(=O)O1)O)O)O)C(=C(C(=C7OC9=CC(=CC(=C9O)O)C(=O)O)O)O)O |
| TCMBANKIN058564 | sanguiinh6 | sanguiin h6 | C82H54O52 | 1871.3 g/mol | C1C2C(C3C(C(O2)OC(=O)C4=CC(=C(C(=C4)OC5=C(C(=C(C6=C5C(=O)OC7C(COC(=O)C8=CC(=C(C(=C86)O)O)O)OC(C9C7OC(=O)C2=CC(=C(C(=C2C2=C(C(=C(C=C2C(=O)O9)O)O)O)O)O)O)OC(=O)C2=CC(=C(C(=C2)O)O)O)O)O)O)O)O)OC(=O)C2=CC(=C(C(=C2C2=C(C(=C(C=C2C(=O)O3)O)O)O)O)O)O)OC(=O)C2=CC(=C(C(=C2C2=C(C(=C(C=C2C(=O)O1)O)O)O)O)O)O |
| TCMBANKIN058575 | 1-indanone | 2,3-dihydro-1H-inden-1-one | C9H8O | 132.16 g/mol | C1CC(=O)C2=CC=CC=C21 |
| TCMBANKIN059200 | ponalactone a | 33722-77-9; AC1L9C7T; C09174; DTXSID90331734; Ponalactone A; CHEBI:8330;inumakilactone d;9, 12, 15-- octadecadienoic acid;10,13-Methyl octadecadienoate;(Cis, cis, cis)-9,12,15- octadecadienoic acid | C19H22O6 | 346.4 g/mol | CC(C)C1C2=CC3C4C(C(C5C(C4(C2=CC(=O)O1)C)O5)O)(C(=O)O3)C |
| TCMBANKIN059632 | HN saponin F | C41H66O13 | 767 g/mol | CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)CO)OC6C(C(C(CO6)O)O)O)C)C)C2C1)C)C(=O)OC7C(C(C(C(O7)CO)O)O)O)C | |
| TCMBANKIN059750 | sanguisorbigenin | C30H46O3 | 454.68 | CC1=C(C2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(CC1)C(=O)O)C)C)(C)C)O)C)C | |
| TCMBANKIN059827 | phenol,2,6-bis(1,1-dimethylethyl)-4-methyl | C15H24O | 220.35 g/mol | CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C | |
| 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 | |
| TCMBANKIN059945 | 2,6-Dimethylnaphthalene | C12H12 | 156.22 | CC1=CC2=C(C=C1)C=C(C=C2)C | |
| TCMBANKIN060041 | 2,5-dimethyl pyrazine | C6H8N2 | 108.14 g/mol | CC1=CN=C(C=N1)C | |
| TCMBANKIN060043 | 3-methyl-6,7,8-trihydropyrrolo[1,2-a]pyrimidin-2-one | C8H10N2O | 150.18 g/mol | CC1=CN2CCCC2=NC1=O | |
| TCMBANKIN060222 | 28-o-beta-d-glucopyrnosyl-(1-6)-beta-d-glucopyranosyl ester of 3-o-[beta-d-glucopyranosyl-(1-4)][alpha-l-rhamno-pyranosyl-(1-3)]-beta-d-gluco-pyrano-syl-(1-3)-alpha-l-rhamno-pyranosyl-(1-2)-alpha-arabi-nopyranosyl-hederagenin | C71H116O36 | CC1C(C(C(C(O1)OC2C(C(OC(C2OC3C(C(C(C(O3)CO)O)O)O)CO)OC4C(C(OC(C4O)OC5C(C(COC5OC6CCC7(C(C6(C)CO)CCC8(C7CC=C9C8(CCC1(C9CC(CC1)(C)C)C(=O)OC1C(C(C(C(O1)COC1C(C(C(C(O1)CO)O)O)O)O)O)O)C)C)C)O)O)C)O)O)O)O)O | ||
| TCMBANKIN060529 | Tormentic acid | C30H48O5 | 488.7 g/mol | CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1(C)O)C)C(=O)O | |
| TCMBANKIN060536 | asiatic acid | C30H48O5 | 488.7 | CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)O)O)C)C)C2C1C)C)C(=O)O | |
| TCMBANKIN060538 | 3-oxo-19α-hydroxyurs-12-en-28-oic acid | C30H46O4 | 634.54 | CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(=O)C5(C)C)C)C)C2C1(C)O)C)C(=O)O | |
| TCMBANKIN060553 | Ziyuglycoside I | C41H66O13 | 767 g/mol | CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(CO6)O)O)O)C)C)C2C1(C)O)C)C(=O)OC7C(C(C(C(O7)CO)O)O)O | |
| TCMBANKIN060554 | sanguisorbin b | C35H56O7 | 588.8 g/mol | CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(CO6)O)O)O)C)C)C2C1C)C)C(=O)O | |
| TCMBANKIN061024 | tetradecane | C14H28 | 196.39 g/mol | CCCCCCCCCCCCC=C | |
| TCMBANKIN061058 | n-hexadecane | C16H34 | 226.44 g/mol | CCCCCCCCCCCCCCCC | |
| TCMBANKIN061059 | hexadecylic acid | C16H31O2- | 255.42 g/mol | CCCCCCCCCCCCCCCC(=O)[O-] | |
| TCMBANKIN061313 | arecaine | C7H11NO2 | 141.17 g/mol | CN1CCC=C(C1)C(=O)O | |
| TCMBANKIN061314 | arecoline | C8H13NO2 | 155.19 | CN1CCC=C(C1)C(=O)OC | |
| TCMBANKIN061393 | dehydrochebulic acid trimethyl ester | trimethyl ester dehydrochebulic acid | C17H16O11 | 396.3 g/mol | COC(=O)C=C(C1C(OC(=O)C2=CC(=C(C(=C12)O)O)O)C(=O)OC)C(=O)OC |
| TCMBANKIN061459 | 1,2,3-trimethoxybenzene | 1,2,3-trimethoxy-benzene;634-36-6; 92159_FLUKA; 137995_ALDRICH; NSC10124; NSC 10124; ZINC00152503; ST5406631; Benzene, 1,2,3-trimethoxy-; Tri-O-methylpyrogallol; Pyrogallol trimethyl ether; AI3-02077; Methylsyringol (VAN); EINECS 211-207-2; 1,2,3-Trimethoxybenzene | C9H12O3 | 168.19 g/mol | COC1=C(C(=CC=C1)OC)OC |
| TCMBANKIN061857 | 1, 4-Dimethoxy benzene | Hydroquinone Dimethyl; 1,4-dimethoxy-benzene | C8H10O2 | 138.16 g/mol | COC1=CC=C(C=C1)OC |
| TCMBANKIN061905 | methyl 6-o-digalloyl-β-d-glucopyranoside i | [2,3-dihydroxy-5-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methoxycarbonyl]phenyl] 3,4,5-trihydroxybenzoate; AC1NSYBB; methyl 6-o-digalloyl-beta-d-glucopyranoside(ii) | COC1C(C(C(C(O1)COC(=O)C2=CC(=C(C(=C2)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)O)O)O)O |
植物对应的疾病
| 疾病ID | 病名 | 疾病类型 | MeSH | 参考文献 |
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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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