Plant Summary
Plant Information
TCMBank_ID: | TCMBANKHE004707 |
ID: | TCMBANKHE004707 |
植物拉丁名: |
|
功能与主治: | To remove heat from blood, to eliminate blood stasis, and to relieve pain./1. Paeoniflorin, one of its active components, has a strong antispastic effect and also analgesic, sedative, anticonvulsive, antibacterial and anti-imflammatory effects. 2. Dilating blood vessels, increasing coronary flow and improving myocardial oxygen supply. 3. Inhibiting platelets aggregation. |
药用植物名: | 赤芍 |
药味: | Minor cold; Bitter |
经络: | Liver |
临床特征: | 1. Paeoniflorin, one of its active components, has a strong antispastic effect and also analgesic, sedative, anticonvulsive, antibacterial and anti-imflammatory effects. 2. Dilating blood vessels, increasing coronary flow and improving myocardial oxygen s |
治疗类型: | 清热凉血药 |
TCM_ID_id: | 1957; 6926 |
SymMap_id: | 65 |
TCMSP_id: | 100; 455 |
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 |
| TCMBANKIN000155 | 4-Ethylcyclohexanol | C8H16O | 128.21 | CCC1CCC(CC1)O | |
| TCMBANKIN000443 | 8-debenzoylpaeonidanin_qt | 228.27 | |||
| TCMBANKIN000473 | paeonin,a | 372.41 | |||
| TCMBANKIN000688 | butyl gallate | C11H14O5 | 226.23 g/mol | CCCCOC(=O)C1=CC(=C(C(=C1)O)O)O | |
| TCMBANKIN000721 | pailactone B | ||||
| TCMBANKIN001277 | 1-o-beta-d-glucopyranosylpaeonisuffrone_qt | 332.38 | |||
| TCMBANKIN001314 | 3,4'-o-dimethylellagicacid 4-o-α-l-rhamno-pyranoside | C22H20O12 | |||
| TCMBANKIN001687 | acioflorin | ||||
| TCMBANKIN002066 | 4-o-galloyl quinicacid | C14H16O10 | 344.27 g/mol | C1C(C(C(CC1(C(=O)O)O)O)OC(=O)C2=CC(=C(C(=C2)O)O)O)O | |
| TCMBANKIN002605 | (2R,3R)-4-methoxyl-distylin | (2R, 3R)-4-methoxyl-distylin | 318.3 | ||
| TCMBANKIN002691 | 1-O-β-D-gluecopyranosyl-paeonisuffrone | ||||
| TCMBANKIN004090 | (1R,2S,4R)-trans-1,8-cineole-2-O-β-Dglucopyranoside | ||||
| TCMBANKIN004534 | 4-o-methyl-paeoniflorin_qt | 332.38 | |||
| TCMBANKIN005077 | paeonin,c | 372.41 | |||
| TCMBANKIN005099 | chaparrione | ||||
| TCMBANKIN005408 | galloylpaeoniflorine_qt 2 | isobenzoylpaeoniflorin_qt 1 | 318.35 | ||
| TCMBANKIN005538 | 1-o-beta-d-glucopyranosyl-8-o-benzoylpaeonisuffrone_qt | 302.35 | |||
| TCMBANKIN006063 | 23β-hydroxyolean-12-en-28-al | ||||
| TCMBANKIN007550 | lactinolide | C10H16O4 | 200.23 g/mol | CC1C2CC(C(CC2OC1=O)(C)O)O | |
| TCMBANKIN007945 | paeoni-lactone A | C10H14O4 | 198.22 g/mol | CC1C2CC(=O)C(CC2OC1=O)(C)O | |
| TCMBANKIN008439 | albiflorin_qt | Albiflorin_qt | C23H28O11 | 480.46 | |
| TCMBANKIN008637 | (1S,2S,4R)-trans-2-hydroxy-1,8-cineole-β-D-glucopyranoside | C23H32O11 | CC1(C2CCC(O1)(C(C2)OC3C(C(C(C(O3)COC(=O)C4=CC(=C(C(=C4)O)O)O)O)O)O)C)C | ||
| TCMBANKIN009190 | lupenone | lupenone ; 1617-70-5; LUPENONE; SCHEMBL1483620; NSC 281807; ZINC04081760; Lup-20(29)-en-3-one (8CI)(9CI); (1R,3aR,4S,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-1-Isopropenyl-3a,5a,5b,8,8,11a-hexamethyl-eicosahydro-cyclopenta[a]chrysen-9-one; AIDS-082905; AIDS082905 | C30H48O | 424.7 g/mol | CC(=C)C1CCC2(C1C3CCC4C5(CCC(=O)C(C5CCC4(C3(CC2)C)C)(C)C)C)C |
| TCMBANKIN009680 | oxypaeoniflorin_qt | C23H28O12 | 496.46 | ||
| TCMBANKIN010471 | paeoniflorin_qt | galloylpaeoniflorin_qt 2; paeonioflorin_qt; benzoyl paeoniflorin_qt 2; isopaeoniflorin_qt; ?paeonioflorin_qt | C23H28O11 | 480.46 | |
| TCMBANKIN011861 | benzoyl paeoniflorin | BDBM50378694; benzoylpaeoniflorin; CHEMBL1077641; 38642-49-8; Benzoylpaeoniflorin | C30H32O12 | 584.57 | CC12CC3(C4CC1(C4(C(O2)O3)COC(=O)C5=CC=CC=C5)OC6C(C(C(C(O6)COC(=O)C7=CC=CC=C7)O)O)O)O |
| TCMBANKIN012073 | campest-5-en-3beta-ol | C01789; (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(1R,4R)-1,4,5-trimethylhexyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol; (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol; LMST01030097; (24R)ergost-5-en-3beta-ol; CHEBI:28623 | C28H48O | 400.68 | CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C |
| TCMBANKIN012778 | 3β-hydroxy-11α,12α-epoxy-olean-28, 13β-olide | 3β-hydroxy-11α,12α-epoxy-olean-28,13β-olide | |||
| TCMBANKIN013990 | propyl gallate | C10H12O5 | 212.2 g/mol | CCCOC(=O)C1=CC(=C(C(=C1)O)O)O | |
| TCMBANKIN014159 | mersosin | CCC(C)C(C(=O)NCC(=O)NC(CO)C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(CC1=CC=C(C=C1)O)N | |||
| TCMBANKIN014616 | paeonioflorin | AKOS015962161; AC-15908 | C23H28O11 | 480.46 | CC12CCC3C(C1)(OC(C3(COC(=O)C4=CC=CC=C4)OC5C(C(C(C(O5)CO)O)O)O)O2)O |
| TCMBANKIN015139 | epi-4-ethyl-benzoyl-paeoniflorin | ||||
| TCMBANKIN015176 | tryptanthin | ||||
| TCMBANKIN015557 | 9-ethyl-neo-paeoniaflorin A_qt | 334.4 | |||
| TCMBANKIN015754 | 2-[(2R,5R,6R)-6,10-dimethylspiro[4.5]dec-9-en-2-yl]propan-2-ol | 2-[(2R,5R,6R)-6,10-dimethyl-2-spiro[4.5]dec-9-enyl]propan-2-ol | C15H26O | 222.37 | |
| TCMBANKIN016262 | paeonflorin | ||||
| TCMBANKIN016738 | paeonin,b | 358.38 | |||
| TCMBANKIN017654 | 9-ethyl-neopaeoniaflorin A | 9-ethyl-neo-paeoniaflorin A | 496.56 | ||
| TCMBANKIN017965 | ailanthinone | C25H34O9 | 478.5 g/mol | CCC(C)C(=O)OC1C2C(C(C3(C4C2(CO3)C(CC5C4(C(C(=O)C=C5C)O)C)OC1=O)O)O)C | |
| TCMBANKIN018058 | paeonolide | 72520-92-4; 2-Acetyl-5-methoxyphenyl 6-O-(alpha-L-Arabinopyranosyl)-beta-D-glucopyranoside; 1-[4-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]ethanone; 1-[4-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxytetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-phenyl]ethanone; 1-[4-methoxy-2-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxy-2-tetrahydropyranyl]oxymethyl]-2-tetrahydropyranyl]oxy]phenyl]ethanone; Paeonolide; C10715; 1-[4-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxy-phenyl]ethanone; P1879 | C20H28O12 | 460.43 | CC(=O)C1=C(C=C(C=C1)OC)OC2C(C(C(C(O2)COC3C(C(C(CO3)O)O)O)O)O)O |
| TCMBANKIN018073 | 6'-O-β-Glucose Aucubin II | ||||
| 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 |
| TCMBANKIN019812 | Lactiflorin_qt | 318.35 | |||
| TCMBANKIN020403 | peonidin | Peonin_qt; Paeonidin | C16H13O6+ | 301.27 g/mol | COC1=C(C=CC(=C1)C2=[O+]C3=CC(=CC(=C3C=C2O)O)O)O |
| TCMBANKIN020502 | kaempferol-3,7-di-O-β-D-glucoside | kaempferol 3 ,7-di-O-β-D-glucoside | |||
| TCMBANKIN020584 | paeonin,c_qt | 210.25 | |||
| TCMBANKIN020788 | trypatanthrin | ||||
| TCMBANKIN021089 | 3,3′-O-dimethyl ellagic acid | ||||
| TCMBANKIN023552 | Durol | p-Xylene, 2,5-dimethyl- (7CI); C14534; 95-93-2; Benzene, 1,2,4,5-tetramethyl-; NCIMech_000514; 44624_FLUKA; ST5188811; AI3-25182; 2,5-dimethyl-p-xylene; WLN: 1R B1 D1 E1; InChI=1/C10H14/c1-7-5-9(3)10(4)6-8(7)2/h5-6H,1-4H; Durene; CHEBI:38978; 1,2,4,5-Tetramethylbenzene; NSC 6770; NSC6770; EINECS 202-465-7; T19607_ALDRICH | C10H14 | 134.22 | CC1=CC(=C(C=C1C)C)C |
| TCMBANKIN023656 | 3,3′,4-O-trimethyl ellagic acid | ||||
| TCMBANKIN024941 | paeonin,b_qt | 196.22 | |||
| TCMBANKIN025248 | paeonoside | 20309-70-0; Paeonoside; kaempferol-3,7-di-O-beta-D-glucoside | C27H30O16 | 610.52 | CC(=O)C1=C(C=C(C=C1)OC)OC2C(C(C(C(O2)CO)O)O)O |
| TCMBANKIN025976 | paeonilactone a | (3R)-3aalpha,6,7,7aalpha-Tetrahydro-6alpha-hydroxy-3alpha,6-dimethylbenzofuran-2,5(3H,4H)-dione | C10H14O4 | 198.22 g/mol | CC1C2CC(=O)C(CC2OC1=O)(C)O |
| TCMBANKIN026356 | 3,4,4′-O-trimethyl-5-hydroxy-5-methyl ellagic acid | ||||
| TCMBANKIN027299 | (3aR,7R,7aS)-7-hydroxy-2,3,3a,6,7,7a-hexahydro-1H-indene-4-carbaldehyde | (3aR,7R,7aS)-7-hydroxy-2,3,3a,6,7,7a-hexahydro-1H-indene-4-carboxaldehyde | 166.24 | ||
| TCMBANKIN028413 | paeonilactinone | C10H16O2 | 168.23 g/mol | CC1(C2CC1C(=O)CC2CO)C | |
| TCMBANKIN028633 | 4-o-galloylalbiflorin_qt | 470.46 | |||
| TCMBANKIN029173 | 3β-hydroxy-11-oxo-olean-12-en-28-oic acid | 470.76 | |||
| TCMBANKIN029705 | (1S,2S,4R)-trans-2-hydroxy-1,8-cineole-B-D-glucopyranoside | 332.44 | |||
| TCMBANKIN029746 | indoxyl | 151864-03-8; 1H-INDOLOL; 480-93-3; CHEBI:17840; benzoyl benzenecarboperoxoate; (2S,4R)-N-[2-chloro-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide; 1H-Indol-3-ol; C05658; Indoxyl; 69594-78-1; AC1MJ6M8; ZINC00152333 | C8H7NO | 133.15 g/mol | C1=CC=C2C(=C1)C(=CN2)O |
| TCMBANKIN030607 | cyrtophylin | 5-hydroxy-3,6-dimethoxy-2-[3-methoxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one; AC1NSU4Y | C24H26O12 | COC1=C(C2=C(C=C1)OC(=C(C2=O)OC)C3=CC(=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O)OC)O | |
| TCMBANKIN030660 | 4-ethyl-paeoniflorin_qt | 332.38 | |||
| TCMBANKIN031058 | paeonin,a_qt | 210.25 | |||
| TCMBANKIN032147 | (2)-(1s,5r)-beta-pinene-10-y1-beta-vicianoside | (2)-(1s, 5r)-beta-pinene-10-y1-beta-vicianoside | |||
| TCMBANKIN032782 | benzoyloxypaeoniflorin | benzoyl-oxypaeoniflorin | C30H32O13 | 600.6 g/mol | CC12CC3(C4CC1(C4(C(O2)O3)COC(=O)C5=CC=C(C=C5)O)OC6C(C(C(C(O6)COC(=O)C7=CC=CC=C7)O)O)O)O |
| TCMBANKIN033521 | evofolinB | evofolin-B; evofolin B; evofo lin B; evofolin b | C17H18O6 | 318.32 g/mol | COC1=C(C=CC(=C1)C(CO)C(=O)C2=C(C(=CC=C2)O)OC)O |
| TCMBANKIN033875 | 30-norhederagenin | C29H44O4 | 456.7 g/mol | CC12CCC(C(C1CCC3(C2CC=C4C3(CCC5(C4CC(=C)CC5)C(=O)O)C)C)(C)CO)O | |
| TCMBANKIN034064 | 4-O-methylpaeoniflorin_qt | 332.38 | |||
| TCMBANKIN034084 | benzoylpaooniflorin | ||||
| 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 |
| TCMBANKIN035354 | Pentadecanol | CS-W004295; EINECS 267-006-5; UNII-2C8M6XLB5C component REIUXOLGHVXAEO-UHFFFAOYSA-N; MolPort-003-932-224; MFCD00004759; pentadecanol; 1-PENTADECANOL; 333QVA4G2Q; DSSTox_GSID_27270; CHEMBL26561; AK126490; LMFA05000194; 39433-03-9; STL453722; UNII-333QVA4G2Q; AI3-33881; Neodol 5; AC1L1ZIC; ST2419772; NCGC00259248-01; Pentadecyl alcohol; InChI=1/C15H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h16H,2-15H2,1H; Tox21_300553; EBD2204704; NE10352; C12-18 alcohols; EINECS 211-107-9; F0001-1704; n-1-Pentadecanol; 1-Pentadecanol, 99%; P0036; UNII-135SF8G7FQ component REIUXOLGHVXAEO-UHFFFAOYSA-N; KB-259209; 76520_FLUKA; 60650-33-1; CHEBI:77468; KS-000011U9; 412228_ALDRICH; SCHEMBL29548; ZINC38141455; n-Pentadecanol; 67762-25-8; NCGC00254478-01; (C12-C18)-Alkyl alcohol; 1-pentadecanol (ACD/Name 4.0); NCGC00164169-02; 629-76-5; I14-19383; pentadecan-1-ol;; FT-0608196; NSC-66446; RTR-021678; pentadecan-1-ol; Pentadecanol-(1); NSC66446; DSSTox_RID_78381; TR-021678; Tox21_201699; ACMC-1CK30; 39457-30-2; DTXSID0027270; NCGC00164169-01; CAS-629-76-5; CTK1C3820; NCGC00164169-03; BP-30139; 6305AF; Alcohols, C12-18; n-pPentadecanol; ANW-34487; 1-Pentadecanol; C15H32O; 1991DA79-7140-48B0-9F03-1E3D88AC4F28; TRA0077159; REIUXOLGHVXAEO-UHFFFAOYSA-N; 39387-31-0; n-pentadecyl alcohol; 63393-83-9; NSC 66446; DSSTox_CID_7270; TL8004341; 31389-11-4; AKOS009031435 | C15H32O | 228.41 g/mol | CCCCCCCCCCCCCCCO |
| TCMBANKIN036051 | quinazolinone | 22467-EP2305652A2; 2-Quinazolinol; ANW-47334; 19042P; DB-074867; 12766-00-6; CTK8A0865; hydroxyquinazoline; MCULE-1535732693; 22467-EP2277877A1; quinazolone; SBB044956; STL227859; AX8157839; W8233; Q74581; 22467-EP2308846A2; BR-50448; 52195-EP2295415A1; 2-Quinazolinone; 7471-58-1; AKOS006352067; Quinazolin-2(1H)-one; BG01498695; 52195-EP2308844A2; Quinazoline-2-ol; 2,3-dihydroquinazolinone; AVRPFRMDMNDIDH-UHFFFAOYSA-; ZINC16943382; AJ-69650; 22467-EP2283151A2; 22467-EP2314593A1; NSC-401245; AKOS000275075; 2(1H)-Quinazolinone; 52195-EP2308845A2; AVRPFRMDMNDIDH-UHFFFAOYSA-N; J-504052; AK-50448; 22467-EP2308844A2; FT-0689596; 1H-quinazolin-2-one; ST24031589; ST45175018; quinazolin-2-ol; CTK0F6349; 2-hydroxy-quinazoline; TR-038756; SCHEMBL10417; NSC401245; AC1L80FB; 22467-EP2308845A2; 2(3H)-Quinazolinone; RP21064; (3H)-quinazolinone; AKOS002254530; KB-60271; 2-hydroxyquinazoline; InChI=1/C8H6N2O/c11-8-9-5-6-3-1-2-4-7(6)10-8/h1-5H,(H,9,10,11); 2(1H)-Quinazolinone (6CI,8CI,9CI); J-524170 | C8H6N2O | 146.15 g/mol | C1=CC=C2C(=C1)C=NC(=O)N2 |
| TCMBANKIN036401 | glucobrassicin-1-sulzonate | CHEBI:79365; sulfoglucobrassicin(1-); 1-S-[2-(1-sulfo-1H-indol-3-yl)-N-(sulfonatooxy)ethanimidoyl]-1-thio-beta-D-glucopyranose | C16H19N2O12S3- | 527.5 g/mol | C1=CC=C2C(=C1)C(=CN2S(=O)(=O)O)CC(=NOS(=O)(=O)[O-])SC3C(C(C(C(O3)CO)O)O)O |
| TCMBANKIN036539 | Ethyl oleate (NF) | ethyl (Z)-octadec-9-enoate; (Z)-octadec-9-enoic acid ethyl ester; 75100_FLUKA; 268011_ALDRICH; Oleic acid ethyl ester; 75101_FLUKA; D04090; 317675_ALDRICH | C20H38O2 | 310.51 | CCCCCCCCC=CCCCCCCCC(=O)OCC |
| TCMBANKIN036802 | ellagic acid | 2,3,7,8-Tetrahydroxy(1)benzopyrano(5,4,3-cde)(1)benzopyran-5,10-dione; 4,4',5,5',6,6'-hexahydroxydiphenic acid 2,6,2',6'-dilactone; CE0034; 5-19-07-00108 (Beilstein Handbook Reference); AS-12615; ellagic acid ; LTK-20; 133039-73-3; ellagicacid; NE58729; 2,3,7,8-Tetrahydroxy(1)benzopyrano(5,4,3-cde)-(1)benzopyran-5,10-dione; AIDS002688; Spectrum3_001535; SBB006501; 4,4′,5,5′,6,6′-Hexahydroxydiphenic acid 2,6,2′,6′-dilactone; Llagic acid; BRN 0047549; 2,6,2',6'-dilactone hydrate; 2,3,7,8-tetrahydroxychromeno[5,4,3-cde]chromene-5,10-dione; KBio2_004242; Polyphenolic; NCGC00094975-01; Eleagic acid; MFCD00149494; MolPort-000-705-556; 2,3,7,8-tetrahydroxy[1]benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione; [1]Benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione, 2,3,7,8-tetrahydroxy-; EINECS 207-508-3; NCGC00017245-01; NCI60_003869; Ellagsaeure; Ellagic Acid, Dihydrate; Diphenic acid, 4,4',5,5',6,6'-hexahydroxy-, di-.delta.-lactone; KBio3_002450; MLS-0066664.0001; KBio2_006810; SCHEMBL2639621; Ellagic acid hydrate, 97%, may cont. up to 12% water; Ellagic acid dihydrate; 6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0,(1).0(1)(1),(1)]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione dihydrate; Spectrum2_000905; Gallogen (astringent); TNP00132; KBioSS_001674; MLS000069632; SMP1_000111; (1)Benzopyrano(5,4,3-cde)(1)benzopyran-5,10-dione, 2,3,7,8-tetrahydroxy-; BSPBio_002950; Oprea1_032884; C.I. 75270; NSC656272; SPBio_000750; NSC 656272; BCBcMAP01_000154; Elagostasine; I14-61927; NSC 407286; BB_NC-0491; C10788; C.I. 55005; 2,3,7,8-Tetrahydroxy[1]benzopyrano-[5,4,3-cde][1]benzopyran-5,10-dione; Spectrum_001194; Gallogen, astringent; SMR000058244; CHEBI:4775; SPECTRUM1502245; KBio2_001674; KBioGR_001080; 6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadeca-1(15),4(16),5,7,11,13-hexaene-3,10-dione dihydrate; Acido elagico [INN-Spanish]; BG00667714; 476-66-4; Benzoaric acid; AK186482; SDCCGMLS-0066664.P001; Z1551861526; CCRIS 774; Gallogen (VAN); NSC407286; Ellagic acid [DCF:INN]; [1,1'-Biphenyl]-2,2'-dicarboxylic acid, 4,4',5,5',6,6'-hexahydroxy-, di-.delta.-lactone; CCG-208140; NCGC00094975-02; 4,4′,5,5′,6,6′-Hexahydroxydiphenic Acid 2,6,2′,6′-Dilactone; Spectrum4_000750; Alizarine Yellow; 6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0?,??.0??,??]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione dihydrate; Diphenic acid, 4,4',5,5',6,6'-hexahydroxy-, di-delta-lactone; AIDS-002688; AKOS025310087; Acidum ellagicum [INN-Latin]; Lagistase; ZINC00058174; C14H6O8.2H2O; Spectrum5_000959; E2250_SIGMA; Acide ellagique [INN-French]; NCGC00094975-03; 2,3,7,8-tetrahydroxychromeno[5,4,3-cde]chromene-5,10-dione dihydrate; Ellagic acid | C14H6O8 | 302.193 | c1(O[H])c([H])c2c(c(c(C(=O)O3)c([H])c(O[H])c4O[H])c4OC2=O)c3c1O[H] |
| TCMBANKIN036816 | baicalin | 21967-41-9; STOCK1N-21299; (2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenyl-chromen-7-yl)oxy-3,4,5-trihydroxy-oxane-2-carboxylic acid; (2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenylchromen-7-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid; 5,6,7-Trihydroxyflavone-7-O-.beta.-D-glucopyranosideuronic acid; C10025; Baicalin; AIDS001402; 100647-26-5; 7-D-Glucuronic acid-5,6-dihydroxyflavone; 5,6-dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl beta-D-glucopyranosiduronic acid; 31564-28-0; (2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-keto-2-phenyl-chromen-7-yl)oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid; Baicalein-7-D-glucuronide; TJN-151; CHEBI:2981; (2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenyl-chromen-7-yl)oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid; beta-D-Glucopyranosiduronic acid, 5,6-dihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl; LMPK12111081; baicalin ; 5,6-dihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl beta-D-glucopyranosiduronic acid; Baicalein 7-O-glucuronide; 27462-75-5; Baicalein 7-glucuronide; AIDS-001402; (2S,3S,4S,5R,6S)-6-[(5,6-dihydroxy-4-oxo-2-phenyl-7-chromenyl)oxy]-3,4,5-trihydroxy-2-tetrahydropyrancarboxylic acid; 572667_ALDRICH | C21H18O11 | 446.36 | C1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O |
| TCMBANKIN036820 | albiflorin | Albiflorin; albi-florin | C23H28O11 | 480 | [C@]1([H])(O[H])[C@@]([H])(C([H])([H])O[H])O[C@@]([H])(O[C@]2([C@](C([H])([H])OC(c3c([H])c([H])c([H])c([H])c3[H])=O)(C(=O)O4)[C@@]5([H])C2([H])[H])[C@]4(C([H])([H])[H])C([H])([H])[C@]5([H])O[H])[C@]([ H])(O[H])[C@@]1([H])O[H] |
| TCMBANKIN036889 | paeoniflorin | Paeoniflorin; 23180-57-6; C09959; paeoniflorin ; AIDS-002238; AIDS002238; AKOS015962161; AC-15908; .beta.-D-Glucopyranoside, (1aR,2S,3aR,5R,5aR,5bS)-5b-[(benzoyloxy)methyl]tetrahydro-5-hydroxy-2-methyl-2,5-methano-1H-3,4-dioxacyclobuta[cd]pentalen-1a(2H)-yl | C23H28O11 | 480.46 | CC12CC3(C4CC1(C4(C(O2)O3)COC(=O)C5=CC=CC=C5)OC6C(C(C(C(O6)CO)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] |
| TCMBANKIN036943 | arbutin | AC1OOCP4; (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxyphenoxy)oxane-3,4,5-triol; Arbutin; arbutin ; ericolin; ZINC5239485 | C12H16O7 | 272.251 | c1([H])c(O[H])c([H])c([H])c(O[C@]2([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])c1[H] |
| TCMBANKIN037043 | lactiflorin | Lactiflorin; CHEMBL1078658; AKOS032962076; ?lactiflorin | C23H26O10 | 462 | C([H])([H])([H])[C@@]12[C@@]([H])([C@@]3(C([H])([H])OC(c4c([H])c([H])c([H])c([H])c4[H])=O)C(O1)=O)C([H])([H])[C@]3(O[C@@]5([H])[C@]([H])(O6)O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]5([H])O[H])[C @]6([H])C2([H])[H] |
| TCMBANKIN037277 | Oleanolic acid | Olean-12-en-28-oic acid, 3.beta.-hydroxy-; s2334; Caryophyllin; AIDS014809; Giganteumgenin C; SMR000445561; oleanolicacid; (3-beta)-3-Hydroxyolean-12-en-28-oic acid; AIDS-014809; Olean-12-en-28-oic acid, 3-hydroxy-, (3-beta)-; EINECS 208-081-6; NSC 114945; OLEANOLIC ACID; Olean-12-en-28-oic acid, 3-hydroxy-, (3beta)-; CCRIS 6493; AS-11663; SCHEMBL1699365; Virgaureagenin B; CHEBI:37659; MLS000697656; (4aS,5S,6aS,6bR,8R,8aR,10S,12aR,12bR,14bS)-10-Hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-2H-picene-4a-carboxylic acid; AKOS022168208; O5504_SIGMA; MolPort-016-633-333; Oleanolic Acid; Olean-12-en-28-oic acid, 3-beta-hydroxy- (8CI); Oleanic acid; 3beta-Hydroxyolean-12-en-28-oic acid; 3-beta-Hydroxyolean-12-en-28-oic acid; ST057162; Olean-12-en-28-oic acid, 3beta-hydroxy- (8CI); NSC114945; Oleanolic Acid (Caryophyllin); Astrantiagenin C; Olean-12-en-28-oic acid, 3-hydroxy-, (3.beta.)-; 508-02-1; (4R,6aS,6bR,8aR,10S,12aR,12bR,14bR)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-3,4,4a,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydro-1H-picene-4-carboxylic acid; (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid; oleanolic acid | C30H48O3 | 457 | C1([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])C([H])=C([C@@]([H])(C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C2([H])[H])[C@@]2(C(=O)O[H])C([H])([H])C3([H])[H])[C@@]34C( [H])([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])C5([H])[H])[C@@]5([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]1([H])O[H] |
| TCMBANKIN037510 | 8-debenzoylpaeonidanin | 390.43 | |||
| TCMBANKIN038158 | 3β-hydroxy-olean-12-en-28-al | 3β-hydroxyolean-12-en-28-al | C30H48O2 | ||
| TCMBANKIN038515 | paeonilactone c | AKOS032948282; ZINC38927675; Paeonilactone C; C17456; CHEBI:81102; 98751-77-0; MolPort-039-338-419 | C17H18O6 | 318.32 g/mol | CC1(CC2C(CC1=O)C(C(=O)O2)COC(=O)C3=CC=CC=C3)O |
| TCMBANKIN038777 | isatan B | Isatan B; Isatan B, 6; isatan B; BDBM86106; SCHEMBL19129829; 3,5-dihydroxy-2-(hydroxymethyl)-6-(1H-indol-3-yloxy)tetrahydropyran-4-one | C14H15NO7 | 309.271 | c1([H])c([H])c(c(OC(=O)[C@]([H])(O[C@](C([H])([H])O[H])(O[H])[C@]2([H])O[H])[C@]2([H])O[H])c([H])n3[H])c3c([H])c1[H] |
| TCMBANKIN040088 | Palbinone | CHEBI:69584; ZINC5497028; D03DEO; 139954-00-0; Palbinone; MolPort-039-338-436 | 358.5 g/mol | ||
| TCMBANKIN042434 | Paeonilactone B | CHEBI:81101; ZINC38672526; 98751-78-1; (3aR,6S,7aR)-3a,6,7,7a-Tetrahydro-6-hydroxy-6-methyl-3-methylene-2,5(3H,4H)-benzofurandione; MolPort-039-338-420; C17455; AKOS032948957; Paeonilactone B; SCHEMBL8513390 | 196.2 g/mol | ||
| TCMBANKIN042701 | isobenzoylpaeoniflorin | C30H32O12 | 585 | [C@]1(O[C@@]([H])(O[C@@]2([H])C([H])([H])OC(c3c([H])c([H])c([H])c([H])c3[H])=O)[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])([C@@](C([H])([H])OC(c4c([H])c([H])c([H])c([H])c4[H])=O)([C@]([H])(C1([H]) [H])[C@](O[H])(O5)C6([H])[H])[C@]5([H])O7)[C@@]67C([H])([H])[H] | |
| TCMBANKIN043888 | pedunculagin | beta-Pedunculagin; 118014-30-5; VA85X55GDI; beta-D-Glucopyranose, cyclic 2,3:4,6-bis((1S)-4,4',5,5',6,6'-hexahydroxy(1,1'-biphenyl)-2,2'-dicarboxylate); 4-O,6-O-[(4,4',5,5',6,6'-Hexahydroxy-1,1'-biphenyl-2,2'-diyl)biscarbonyl]-2-O,3-O-[(4,4',5,5',6,6'-hexahydroxy-1,1'-biphenyl-2,2'-diyl)biscarbonyl]-beta-D-glucopyranose; UNII-VA85X55GDI | C34H24O22 | 785 | c1(O[H])c([H])c(C(OC([H])([H])[C@@]([H])(O[C@@]([H])(O[H])[C@]([H])(OC(=O)c2c(c3c(C(=O)O4)c([H])c(O[H])c(O[H])c3O[H])c(O[H])c(O[H])c(O[H])c2[H])[C@@]45[H])[C@@]5([H])OC(=O)c(c([H])c(O[H])c(O[H])c6O[H] )c67)=O)c7c(O[H])c1O[H] |
| TCMBANKIN044677 | benzoate | C7H6O2 | 121.11 g/mol | C1=CC=C(C=C1)C(=O)[O-] | |
| TCMBANKIN044727 | salicylic acid | 3320-EP2298732A1; D00097; CCRIS 6714; 3320-EP2287148A2; 3320-EP2298735A1; o-Hydroxybenzoate anion; Trans-Ver-Sal; Verrugon; CHEBI:30762; STK258681; 2y7w; salicylate; BBL000698; 3320-EP2305260A1; 3320-EP2311796A1; K 537; Keralyt; AC1L1JPL; Salicylate anion; 3320-EP2301534A1; Orthohydroxybenzoic acid; 3320-EP2292595A1; o-hydroxybenzoic acid; Salicylate ion; 3320-EP2298777A2; ACS No 10; Ionil; 3320-EP2289871A1; Salicylic acid [USAN:JAN]; 3320-EP2298748A2; SMR000059163; AC1Q5BFS; o-Carboxyphenol; NCGC00178624-02; 3320-EP2269991A2; 25496-36-0; 3320-EP2292614A1; 3320-EP2311451A1; Salicylic acid; YGSDEFSMJLZEOE-UHFFFAOYSA-M; 3320-EP2284179A2; Benzoic acid, 2-hydroxy-; 3320-EP2287150A2; MLS000069653; 3320-EP2301912A2; CHEBI:16914; Ionil-Plus; Salicylic acid & Sulfur Soap; 3320-EP2305637A2; 3320-EP2298743A1; 3320-EP2284151A2; 54-21-7 (SODIUM SALT); AB00053542_03; Salicylic acid collodion; Kyselina 2-hydroxybenzoova [Czech]; Salicylic acid (6CI,8CI); AIDS-006789; 3320-EP2295416A2; KBio2_003996; 2-hydroxy-benzoate; Dr. Scholl's Corn Removers; 3320-EP2284152A2; Advanced Pain Relief Corn Removers; 3320-EP2284156A2; NCGC00159447-02; 3320-EP2316835A1; 3320-EP2295413A1; 3320-EP2308863A1; 3320-EP2292593A2; 3320-EP2305671A1; AIDS006789; Duofil Wart Remover; 2-Hydroxybenzoic acid; 3gf2; InChI=1/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10; 3320-EP2269985A2; C00805; 3twp; 3320-EP2311798A1; 3320-EP2275420A1; hydroxybenzoate; WLN: QVR BQ; Salonil; S7401_SIGMA; NSC 180; Salicylic acid (JP15/USP); 3320-EP2301927A1; 3198-EP2289876A1; 3320-EP2316470A2; NCGC00178624-03; Saligel; 2-HYDROXYPHENYLFORMATE; salicylicacid; CPD-110; 3320-EP2284150A2; Spectrum_000948; EPA Pesticide Chemical Code 076602; 3320-EP2284164A2; 3320-EP2295550A2; SMP2_000145; Acidum salicylicum; CAS_54-21-7; Dr. Scholl's Callus Removers; Stri-Dex; ZB000360; SAL; o-Hydroxybenzoate; 3320-EP2280008A2; Clear away Wart Remover; 3320-EP2295432A1; S8519_SIGMA; CTK5I4917; CJ-00055; Salicylic acid, tech.; Salicylic acid soap; 3320-EP2269978A2; 2-Hydroxybenzoate (Na+); Benzoic acid, 2-hydroxy-, ion(1-); SGCUT00012; Duoplant; Freezone; 3320-EP2284155A2; Occlusal; 3320-EP2284178A2; 3320-EP2301914A1; 3320-EP2311825A1; MFCD00984876; Psoriacid-S-Stift; 3320-EP2301913A1; Rutranex; IDI1_000301; 3320-EP2314578A1; 2-Hydroxybenzenecarboxylic acid; 3320-EP2298765A1; 3320-EP2308832A1; MolPort-003-710-545; 8052-31-1; o-Hydrobenzoate; Retarder W; Salicylic acid-ring-UL-14C; 2y7k; Duofilm; o-Hydrobenzoic Acid; NSC_5900; EINECS 200-712-3; NCGC00159447-04; BDBM85513; 3320-EP2295419A2; 3320-EP2314295A1; STK372903; 63-36-5; 3320-EP2311835A1; DivK1c_000301; 2-Hydroxybenzoic acid ion(1-); 3320-EP2316450A1; 3320-EP2277875A2; Dr. Scholl's Wart Remover Kit; 105910_ALDRICH; HSDB 672; 69-72-7; 3320-EP2311842A2; 2y7p; 3320-EP2284153A2; AI3-02407; 3320-EP2272847A1; 7681-06-3; Phenol-2-carboxylic acid; AKOS005447222; 3198-EP2298777A2; Ionil Plus; KBioSS_001428; 3320-EP2301916A2; T7104; 3320-EP2284170A1; 3320-EP2298764A1; Caswell No. 731; 2-Oxylatobenzoate; 84210_FLUKA; KBio1_000301; 3320-EP2311799A1; BENZOIC ACID,2-HYDROXY SALICYLIC ACID; to_000004; Compound w; 3320-EP2275102A1; 3320-EP2311797A1; 2-Hydroxybenzoate; Kyselina salicylova [Czech]; S5922_SIGMA; 3320-EP2287140A2; 2-Hydroxybenzoic acid anion; 3320-EP2305688A1; 3320-EP2305243A1; UPCMLD-DP126:001; 3320-EP2295412A1; 27301_SIAL; Salicylic acid, ion(1-); 3320-EP2292590A2; 3320-EP2277876A1; W398500_ALDRICH; Oprea1_040343; KBio2_006564; Salicylic acid (TN); Sebucare; 2-Carboxyphenol; Benzoic acid, 2-hydroxy- (9CI); Acido salicilico [Italian]; KBio2_001428; Acido o-idrossibenzoico [Italian]; Advanced Pain Relief Callus Removers; LS-144344; NINDS_000301; 2-hydroxybenzoic acid; 247588_SIAL; 2-CARBOXYBENZENOLATE; 3198-EP2314295A1; NSC180; Domerine; Sebulex; BRN 0774890; CMC_13852 | C7H6O3 | 138.12 | C1=CC=C(C(=C1)C(=O)O)[O-] |
| TCMBANKIN046387 | 6'-o-β-apiofuranosylsweroside | C21H30O13 | C=CC1C2CCOC(=O)C2=COC1OC3C(C(C(C(O3)COC4C(C(CO4)(CO)O)O)O)O)O | ||
| TCMBANKIN046763 | Paeonin | A-d-glucopyranoside chloride; Paeonin; 132-37-6; AC1L4LZ0; (2S,3R,4S,5S,6R)-2-[7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-5-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol chloride; A-d-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)chromenium-5-yl ; 3-(; PEONIDIN-3,5-DIGLUCOSIDE CHLORIDE; AC1Q1SAF; AKOS030573632; 1-Benzopyrylium, 3,5-bis(beta-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-, chloride; EINECS 205-060-3; 3,5-Bis(beta-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride; AK608364 | C28H34ClO16 | 661 g/mol | c12c(C([H])=C(O[C@@]([H])(O[C@]3([H])C([H])([H])O[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])C(c4c([H])c(OC([H])([H])[H])c(O[H])c([H])c4[H])=O1)c(O[C@@]([H])(O[C@]5([H])C([H])([H])O[H])[C@]([H]) (O[H])[C@]([H])(O[H])[C@@]5([H])O[H])c([H])c(O[H])c2[H].Cl |
| TCMBANKIN047286 | 1-O-beta-D-glucopyranosyl-8-O-benzoylpaeonisuffrone | C23H28O10 | 464 | c1(C(=O)OC([H])([H])[C@](C([H])([H])O2)([C@@]3([H])C4([H])[H])[C@]4(O[C@@]5([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(C([H])([H])O[H])O5)[C@]2(C([H])([H])[H])C([H])([H])C3=O)c([H])c ([H])c([H])c([H])c1[H] | |
| TCMBANKIN049261 | 1-o-beta-d-glucopyranosylpaeonisuffrone | 494.54 | |||
| TCMBANKIN049356 | eugeniin | Eugeniin; C10224; eugeniin ; MEGxp0_001162; ACon1_001321; 58970-75-5; Tellimagrandin II | C41H30O26 | 939 | c1([H])c(C(O[C@]2([H])[C@@]([H])(OC(c3c([H])c(O[H])c(O[H])c(O[H])c3[H])=O)[C@]([H])(OC(=O)c(c([H])c4O[H])c([H])c(O[H])c4O[H])O[C@]([H])(C([H])([H])OC(=O)c(c([H])c(O[H])c(O[H])c5O[H])c5c(c(O[H])c(O[H]) c(O[H])c6[H])c6C(=O)O7)[C@]27[H])=O)c([H])c(O[H])c(O[H])c1O[H] |
| TCMBANKIN057142 | Ruvoside | UN2330; 1120-21-4; CAS-1120-21-4; LTBB002321; LS-158394; UN 2330; UNII-JV0QT00NUE; DSSTox_CID_1689; AI3-21126; U203; ACMC-209t6p; MolPort-001-783-218; Jsp000912; CCRIS 3796; Undecane [UN2330] [Flammable liquid]; EC 214-300-6; UND; undecyl group; 4-01-00-00487 (Beilstein Handbook Reference); KSC176C3J; Undecane; ANW-42095; 175476-97-8; DSSTox_RID_76285; AC1L23G2; n-Undecane, 99% 50g; Undekan; Undecane, 99%; QSPL 058; 17398EC4-D16F-42F6-8A27-60F8EC075469; BRN 1697099; Undecane, >=99%; TR-002350; InChI=1/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H; UNDECAN-2-YL; MCULE-7319807036; NSC 66159; EINECS 214-300-6; J-002689; RSJKGSCJYJTIGS-UHFFFAOYSA-N; NCGC00254001-01; DTXSID9021689; n-C11H24; U0002; S0283; undecan; DSSTox_GSID_21689; SC-79237; CHEMBL132474; Undecane, analytical standard; JV0QT00NUE; MFCD00008959; Hendekan; HSDB 5791; CH3-[CH2]9-CH3; NCGC00247896-01; C-28174; CC-33184; N-UNDECANE; AKOS005145675; FT-0633353; AN-20593; 61193-21-3; 55101-35-4; KS-00000WJI; NSC66159; NSC-66159; I14-60624; ZINC1693211; Hendecane; Decane, methyl-; n-Hendecane; LMFA11000591; CHEBI:46342; TRA0090240; Undecane [UN2330] [Flammable liquid]; DB-041031; CTK0H6134; RTR-002350; Tox21_300076;LMFA11000001; Tridekan; InChI=1/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H; CH3-[CH2]11-CH3; 629-50-5; 91490_FLUKA; 442713_SUPELCO; HSDB 5727; n-Tridecane; EINECS 211-093-4; NSC66205; T57401_ALDRICH; Tridecane; CHEBI:35998; NSC 66205; TRIDECANE, N-; C13834;Tridekan; UNII-114P5I43UJ component IIYFAKIEWZDVMP-UHFFFAOYSA-N; MCULE-7749861366; U393; DB-054344; Tridecane_GurudeebanSatyavani; ACMC-209t6w; C13H28; C13834; N-TRIDECANE; 757DB156-6441-49B0-A824-1532074AC0F6; NCGC00257175-01; IIYFAKIEWZDVMP-UHFFFAOYSA-N; Tridecane, >=99%; TL8004327; MolPort-003-933-018; LS-157141; AN-22061; STL301147; CAS-629-50-5; tridecan; LMFA11000001; SC-74775; AC1L1ZHL; LTBB002872; DSSTox_CID_7266; C-28190; InChI=1/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H; Tridecane, 99.0%; TRA0008560; I14-59696; KSC353S8D; UNII-FW7807707B component IIYFAKIEWZDVMP-UHFFFAOYSA-N; S0285; Dodecane, methyl-; AKOS016011009; FT-0632663; Tridecane, analytical standard; Alkanes, C12-14; MFCD00008979; UNII-A3LZF0L939; DSSTox_GSID_27266; RT-000404; CHEMBL135694; tridecyl group; KS-00000XDT; ST24031950; HSDB 5727; EINECS 211-093-4; AC1Q28TY; DSSTox_RID_78377; FT-0082500; DTXSID6027266; CC-33178; A3LZF0L939; Tox21_303043; NSC-66205; Tridecane; CH3-[CH2]11-CH3; CTK2F3981; TRD; EC 211-093-4; NSC66205; AK115985; ANW-42102; 629-50-5; CHEBI:35998; NSC 66205; TRIDECANE, N-; ZINC1693738;n-tridecane;TRD | C30H46O9 | [C@]1([H])(OC([H])([H])[H])[C@@]([H])(O[H])[C@]([H])(C([H])([H])[H])O[C@@]([H])(O[C@@]2([H])C([H])([H])[C@]3([H])[C@@](C([H])([H])O[H])([C@@]([H])(C([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@]([H])( C4=C([H])C(=O)OC4([H])[H])C([H])([H])C5([H])[H])[C@]56O[H])[C@@]6([H])C([H])([H])C3([H])[H])C([H])([H])C2([H])[H])[C@@]1([H])O[H] | |
| TCMBANKIN057949 | sucrose | Amerfand; 29253-78-9; Sucrose (TN); alpha-D-Glucopyranoside, beta-D-fructofuranosyl-; saccharose; Sugar, compressible (NF); S0389_SIGMA; D06530; C00089; 1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside; Sucrose, purified; 8027-47-2; 30027-72-6; 29764-06-5; 86101-30-6; NSC 406942; D06529; Sucrose [USAN:JAN]; 146187-04-4; ST5308554; Sugar, confectioner's; D(+)-Saccharose; S7903_SIGMA; GLC-(1-2)FRU; alpha-D-glucopyranosyl beta-D-fructofuranoside; FICOLL; 151756-02-4; Sugar spheres (NF); White soft sugar (JP15); Sucraloxum [INN-Latin]; Saccharum; alpha-D-Glc-(1-2)-beta-D-Fru; S9378_SIGMA; 76056-38-7; 47289_SUPELCO; D-Sucrose; Sugar spheres; 87430-66-8; 104242-10-6; (alpha-D-Glucosido)-beta-D-fructofuranoside; Table sugar; Sacharose; (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol; NCI-C56597; 47167-52-2; CCRIS 2120; alpha-D-Glucopyranoside, beta-D-fructofuranosyl, homopolymer; D06528; Microse; Cane sugar; Amerfond; 64533-66-0; White soft sugar; beta-D-Fruf-(2<->1)-alpha-D-Glcp; sugar; White sugar; SUC; 84097_FLUKA; Rock candy; beta-D-Fructofuranosyl-alpha-D-glucopyranoside; Fructofuranoside, alpha-D-glucopyranosyl, beta-D; 80165-03-3; 47257-91-0; CHEBI:17992; 47185-09-1; S5390_SIGMA; alpha-D-Glucopyranoside, beta-D-fructofuranosyl; S1888_SIGMA; 220376-22-7; D06533; 8030-20-4; S3929_SIGMA; S1174_SIGMA; 65545-99-5; Glucopyranoside, beta-D-fructofuranosyl, alpha-D; S2395_SIGMA; 78654-77-0; D06531; (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol; SUCROSE; S5016_SIAL; 51909-69-4; 85456-51-5; D()-Saccharose; ZINC04217475; 84100_FLUKA; D00025; Confectioner's sugar; EINECS 200-334-9; Sugar, confectioner's (NF); 57-50-1; 100405-08-1; 92004-84-7; Beet sugar; S5391_SIGMA; Sucrose, dust; alpha-D-Glc-(1->2)-beta-D-Fru; beta-D-Fructofuranosyl alpha-D-glucopyranoside; 131932-12-2; HSDB 500; Sugar, compressible; AI3-09085; alpha-D-Glucopyranosylbeta-D-fructofuranoside; Rohrzucker; 16104_RIEDEL; (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-dimethylol-tetrahydrofuran-2-yl]oxy-6-methylol-tetrahydropyran-3,4,5-triol; Granulated sugar; S8501_SIGMA; Sucrose, purified (JAN); 146054-35-5; Sucrose (JP15/NF); 9012-95-7; Sucrose, pure; 75398-84-4; 50857-68-6; (2R,3R,4S,5S,6R)-2-[[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)-2-tetrahydrofuranyl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol; 25702-74-3; D(+)-Sucrose | C12H22O11 | 342.3 g/mol | C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O)O |
| 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 |
| TCMBANKIN058066 | Tannic acid (Corilagin) | 1,3,6-Tri-O-galloyl-b-D-glucose; Glucopyranose, 1,3,6-trigallate, gallotannin, gallotannins, beta-D-; 3,4,5-trihydroxybenzoic acid [(2S,3R,4S,5R,6R)-3,5-dihydroxy-2-[oxo-(3,4,5-trihydroxyphenyl)methoxy]-6-[[oxo-(3,4,5-trihydroxyphenyl)methoxy]methyl]-4-tetrahydropyranyl] ester; .beta.-D-Glucopyranose 1,3,6-trigallate; .beta.-D-Glucopyranose, 1,3,6-tris(3,4,5-trihydroxybenzoate); 1,3,6-Tri-O-galloyl-b-D-glucopyranose; 1,3,6-Trigalloyl-beta-glucose; beta-D-Glucopyranose, 1,3,6-tris(3,4,5-trihydroxybenzoate); [(2S,3R,4S,5R,6R)-3,5-dihydroxy-2-(3,4,5-trihydroxybenzoyl)oxy-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]tetrahydropyran-4-yl] 3,4,5-trihydroxybenzoate; MEGxp0_001387; [(2S,3R,4S,5R,6R)-3,5-dihydroxy-2-(3,4,5-trihydroxybenzoyl)oxy-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-4-yl] 3,4,5-trihydroxybenzoate; [(2S,3R,4S,5R,6R)-3,5-dihydroxy-2-(3,4,5-trihydroxyphenyl)carbonyloxy-6-[(3,4,5-trihydroxyphenyl)carbonyloxymethyl]oxan-4-yl] 3,4,5-trihydroxybenzoate; Glucopyranose, 1,3,6-trigallate, .beta.-D-; AIDS002286; AIDS-002286; ACon1_002062; beta-D-Glucopyranose 1,3,6-trigallate; 3,4,5-trihydroxybenzoic acid [(2S,3R,4S,5R,6R)-3,5-dihydroxy-2-(3,4,5-trihydroxybenzoyl)oxy-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]tetrahydropyran-4-yl] ester; Quebracho; (1S,18R,20S,21S,22S)-6,7,8,11,12,13,21,22-octahydroxy-3,16-dioxo-2,17,19-trioxatetracyclo[16.3.1.0;{4,9}.0;{10,15}]docosa-4(9),5,7,10,12,14-hexaen-20-yl 3,4,5-trihydroxybenzoate; gallotannin | C76H52O46 | 636.5 g/mol | C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)O |
| TCMBANKIN058069 | 1,2,3,6-Tetragalloylglucose | [(2S,3R,4S,5R,6R)-5-hydroxy-2,3-bis[(3,4,5-trihydroxyphenyl)carbonyloxy]-6-[(3,4,5-trihydroxyphenyl)carbonyloxymethyl]oxan-4-yl] 3,4,5-trihydroxybenzoate; 79886-50-3; 1,2,3,6-Tetra-O-galloyl-B-D-glucose; 1,2,3,6-Tgg; beta-D-Glucopyranose, 1,2,3,6-tetrakis(3,4,5-trihydroxybenzoate); 1,2,3,6-tetrakis-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranose; 3,4,5-trihydroxybenzoic acid [(2S,3R,4S,5R,6R)-5-hydroxy-2,3-bis[oxo-(3,4,5-trihydroxyphenyl)methoxy]-6-[[oxo-(3,4,5-trihydroxyphenyl)methoxy]methyl]-4-tetrahydropyranyl] ester; AIDS-070890; 1,2,3,6-Tetra-O-galloyl-beta-D-glucose; [(2S,3R,4S,5R,6R)-5-hydroxy-2,3-bis[(3,4,5-trihydroxybenzoyl)oxy]-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]tetrahydropyran-4-yl] 3,4,5-trihydroxybenzoate; MEGxp0_001175; CHEBI:17527; AIDS070890; [(2S,3R,4S,5R,6R)-5-hydroxy-2,3-bis[(3,4,5-trihydroxybenzoyl)oxy]-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-4-yl] 3,4,5-trihydroxybenzoate; 3,4,5-trihydroxybenzoic acid [(2S,3R,4S,5R,6R)-5-hydroxy-2,3-bis[(3,4,5-trihydroxybenzoyl)oxy]-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]tetrahydropyran-4-yl] ester; C04516; 1,2,3,6-Tetrakis-O-galloyl-beta-D-glucose; ACon1_000379; 1,2,3,6-tetragalloylglucose; 1,2,3,6-tetra-O-galloyl-β-D-glucose; 1,2,3,6-tetra-O-galloyl-β-D-glucopyranose; 1,2,3,6-Tetragalloylglucose; 1,2,3,6-tetra-o-galloyl-beta-d-glucopyranoside; 1,2,3,6-tetra-o-galloyl-beta-d-glucose; 1,2,3,6-tetra-o-galloyl-β-d-glucose; 1, 2, 3, 6-tetra-o-galloyl-beta-d-glucopyranoside | C34H28O22 | 788.6 g/mol | C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)O |
| TCMBANKIN058070 | 1,2,3,4,6-pentagalloylglucose | Pentagalloylglucose; DB03208; [(2S,3R,4S,5S,6S)-3,4,5,6-tetrakis[(3,4,5-trihydroxybenzoyl)oxy]tetrahydropyran-2-yl]methyl 3,4,5-trihydroxybenzoate; [(2S,3R,4S,5S,6S)-3,4,5,6-tetrakis[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate; AC1L9JR6; 1, 2, 3, 4, 6-pentagalloylglucose; ZINC169301047 | C41H32O26 | 940.7 g/mol | C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)OC(=O)C6=CC(=C(C(=C6)O)O)O |
| TCMBANKIN058109 | Pyrogallic acid | PYG;1,2,3-Benzenetriol; Benzene, 1,2,3-trihydroxy-; 1,2,3-Trihydroxybenzene; BRN 0907431; Pyro; Piral; AIDS-002956; Fouramine Brown AP; ZINC00330141; P0381_SIGMA; 1,2,3-TRIHYDROXY-BENZENE; SMR000471842; 2,2',2"-[1,2,3-BENZENE-TRIYLTRIS(OXY)]TRIS[N,N,N-TRIETHYLETHANAMINIUM]; WLN: QR BQ CQ; 1,2,3-Trihydroxybenzen; 1,2,3-Trihydroxybenzen [Czech]; CI Oxidation Base 32; AIDS082397; Pyrogallol polymer; AIDS-082397; CCRIS 1940; Fourrine 85; C.I. 76515; fouramine base ap; InChI=1/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9; AIDS002956; Pyrogallic acid; C.I. Oxidation Base 32; AI3-00709; C01108; 254002_SIAL; Pyrogallol solution; CI 76515; HSDB 794; 87-66-1; CHEBI:16164; 83135_FLUKA; GMN; MLS001066376; Pyrogallol; C.I. Oxidation Base 32; 16040_RIEDEL; PYROP; Fourrine PG; 4-06-00-07327 (Beilstein Handbook Reference); BENZENE-1,2,3-TRIOL; NCGC00091507-01; AB-131/40221933; NSC5035; EINECS 201-762-9; c0025; NSC 5035;pyrogallol;Gallic phenol | C6H6O3 | 126.11 g/mol | C1=CC(=C(C(=C1)O)O)O |
| TCMBANKIN058151 | taxifolin | (2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-chromanone; (2R,3R)-3,3',4',5,7-Pentahydroxyflavanone; (2R,3R)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-3,5,7-trihydroxy-4H-1-benzopyran-4-one; 20254-28-8 (DELETED); trans-Dihydroquercetin; ()-Taxifolin; Taxifolin; ZINC00105077; CHEBI:17948; AIDS003061; MEGxp0_000741; 17654-26-1 (DELETED); 3,3′,4′,5,7-Pentahydroxyflavanone; (+)-Taxifolin; MLS000759539; (2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chroman-4-one; (2R,3R)-2-(3,4-DIHYDROXYPHENYL)-3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-4-ONE; 78666_FLUKA; MLS001074712; STOCK1N-51590; DQH; T4512_SIGMA; TAXIFOLIN-(+); (2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychroman-4-one; ACon1_000239; (+)-Dihydroquercetin; SMR000466389; 480-18-2; C01617; (2R,3R)-TRANS-DIHYDROQUERCETIN; MLS001066341; AIDS-003061; MLS000759526; AC1LEHLM; NC00093; TAXIFOLIN-(+/-); SCHEMBL1707803; ZINC105086; MLS001423978; (?)-Epitaxifolin; ZB003534; CHEMBL221328; (2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydro-4H-chromen-4-one; (2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one; Dihydro quercetin; SMR000499525; CCG-100843; CPD000499525; CHEBI:75747; (-)-epitaxifolin; SAM001246760; AB00698321-05; AJ-11152; HMS2051I06; dihydroquercetin ; (2R,3S)-epitaxifolin; MLS000759526; dihydroquercetin | C15H12O7 | 304.25 g/mol | C1=CC(=C(C=C1C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O |
| TCMBANKIN058213 | kaemferol;kampferol;kaempferol;campherol | TNP00039; nchembio.2007.28-comp30; Kaempherol; 5-18-05-00251 (Beilstein Handbook Reference); Prestwick2_001098; CHEBI:28499; Prestwick1_001098; CAS-520-18-3; BRN 0304401; Flavone, 3,4',5,7-tetrahydroxy-; ST030560; MEGxp0_001283; 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-5,7,4'-Trihydroxyflavonol; C.I. 75640; Swartziol; K0133_SIGMA; kaempferol oxoanion; NCGC00016480-01; 60010_FLUKA; EINECS 208-287-6; Pelargidenon; Nimbecetin; 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4-chromenone; NSC 407289; 3,4',5,7-Tetrahydroxyflavone; HSCI1_000027; Pelargidenolon 1497; NSC407289; Robigenin; C05903; CPD1F-90; Kampferol; NSC 656277; Prestwick0_001098; 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one; Populnetin; Kampcetin; Prestwick3_001098; AIDS-001404; ZINC00137345; kaempferol ; 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-olate; 3,4′,5,7-Tetrahydroxyflavone; Rhamnolutein; NCGC00016480-02; ACon1_001867; NSC656277; 3,4′,5,7-Tetrahydroxyflavone; BSPBio_001176; SPBio_003058; Oprea1_650954; 5,7,4'-Trihydroxyflavonol; 4H-1-Benzopyran-4-one,3,5,7-trihydroxy-2-(4-hydroxyphenyl)-5,7,4'-Trihydroxyflavonol; 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)- (9CI); Campherol; 520-18-3; 3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-4H-CHROMEN-4-ONE; S00111; Trifolitin; Kampherol; AI3-36096; 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromone; Indigo yellow; Pelargidenolon; AIDS001404; nchembio718-comp14; NCGC00091036-01; Flavone, 3,4',5,7-tetrahydroxy- (7CI,8CI); CHEBI:58573; Kaemferol; Kempferol; BPBio1_001294; 3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; Rhamnolutin; 3,5,7-triOH-Flavone; KMP; CCRIS 41; 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)- | C15H10O6 | 286.24 g/mol | C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O |
| TCMBANKIN058215 | kaempferol-3-o-beta-d-glucoside | kaempferol-3-O-β-D-glucopyranoside;Kaempferol-3-glucoside;astragalin;Kaempferol-3-o- glucoside;kaempferol 3-glucoside;Kaempferol 3-O-glucoside;kaempferol-3-o-glucoside;5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl beta-D-glucopyranoside; Kaempferol-3-O-.beta.-D-glucopyranoside; Kaempferol-3-beta-glucopyranoside; 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one; NCGC00163580-01; 4H-1-Benzopyran-4-one, 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-; Astragaline; 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one; Kaempferol-3-D-glucoside; 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one; MEGxp0_000168; Kaempferol-3-beta-monoglucoside; Kaempferol-3-O-glucoside; 3,4',5,7-Tetrahydroxyflavone-3-glucoside; 480-10-4; ACon1_001224; SCHEMBL23898; 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone; AIDS-051935; AIDS051935; CHEBI:30200; LMPK12111725; Kaempferol 3-O-beta-D-glucopyranoside; C12249; Astragalin; Kaempferol 3-O-glucoside; Kaempferol 3-glucoside; 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one; Kaempferol 3-O-beta-D-glucoside; 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-chromenone;kaempferol-3-β-D-glucopyranoside;Kaempferol-3-O-β-D- glucopyranoside; kaempferol-3-o-beta-d-glucopyranoside;kaempferol-3-O-β-D-glucoside; Kaempferol-3-o-β-D- glucoside; Kaempferol- 3-O-β-D-glucoside | C21H20O11 | 448.38 | C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O |
| TCMBANKIN058261 | P-hydroxy phenol;hydroquinone | KBioSS_002237; p Benzendiol; CHEBI:17594; Hydroquinone 4%, tretinoin 0.05%, fluocinolone acetonide 0.01%; C15603; Derma-Blanch; para-Dioxybenzene; Eldoquin (TN); hydroquinol; p-Dioxobenzene; EU-0100577; AIDS-000964; Dihydroxybenzene; p-Hydroquinone; HSDB 577; para-Dihydroxybenzene; 1,4-Dihydroxybenzene; EINECS 204-617-8; Hydroquinone (USP); ST5214344; Benzohydroquinone; 1,4-Dihydroxy-benzol; Phiaquin; Solaquin Forte; Hydroquinone polymer; NCGC00090880-01; Fluocinolone acetonide mixture with hydroquinone and tretinoin; D00073; AIDS-220864; 1,4-benzenediol; Melanex; Diak 5; H17902_SIAL; Eldoquin; Fluocinolone acetonide, hydroquinone, and tretinoin; 1,4-Diidrobenzene [Italian]; Spectrum2_001672; Idrochinone [Italian]; c0091; H9003_SIGMA; Dihydroquinone; InChI=1/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8; KBio2_004805; NCI-C55834; Eldopaque Forte; KBio2_002237; 8027-02-9; Hydroquinone tablets; Quinol; UN2662; CCRIS 714; 940291-89-4; p-Benzenediol; NSC 9247; HE 5; Eldoquin Forte; Spectrum4_000633; BSPBio_002291; NCGC00090880-04; para-Hydroquinone; Lopac0_000577; KBioGR_001246; 123-31-9; AIDS220864; Arctuvin; Spectrum5_001430; .beta.-Quinol; Idrochinone; Hydroquinone [UN2662] [Poison]; C00530; WLN: QR DQ; ZINC00001541; .alpha.-Hydroquinone; Spectrum_001757; p-Hydroxyphenol; 1,4-Dihydroxy-benzeen; Hydroquinone/tretinoin/fluocinolone cream; SPECTRUM1504237; Benzene-1,4-diol; MLS000069815; Triluma; p-Dioxybenzene; p-Dihydroxybenzene; 1,4-Dihydroxybenzen; SpecPlus_000769; H3660_SIAL; Tecquinol; SMR000059154; Hydrochinon; 1,4-Dihydroxybenzen [Czech]; Tequinol; Tretinoin, hydroquinone, and fluocinolone acetonide; HT1014_SIGMA; AIDS000964; NCGC00015523-01; 1,4-Diidrobenzene; AI3-00072; Usaf ek-356; Hydroquinole; 1,4-Dihydroxy-benzeen [Dutch]; 57534-13-1; Tenox HQ; SPBio_001883; DivK1c_006865; Black and White Bleaching Cream; KBio1_001809; Hydroquinone / tretinoin / fluocinolone; Spectrum3_000656; HYDROQUINONE; Artra; 1,4-Dihydroxy-benzol [German]; Hydrochinon [Czech, Polish]; KBio3_001511; 1,4-Dihydrobenzoquinone; LS-187959; 4-Hydroxyphenol; NCGC00090880-03; SCHEMBL4934871; HYDROP; KBio2_007373; Lopac-H-9003; Pyrogentistic acid; Benzene, p-dihydroxy-; 1,4-Hydroxybenzene; Benzoquinol; Hidroquinone; NSC9247; Eldopaque; para-Hydroxyphenol | C6H6O2 | 110.11 g/mol | C1=CC(=CC=C1O)O |
| TCMBANKIN058281 | NK | 90-02-8; 2-HYDROXY-BENZALDEHYDE; 03273_FLUKA; 27761-48-4; Salicylal; C06202; Salizylaldehyd; 4-08-00-00176 (Beilstein Handbook Reference); Salicyladehyde; Salicylic aldehyde; c0337; AIDS-017916; InChI=1/C7H6O2/c8-5-6-3-1-2-4-7(6)9/h1-5,9; HSDB 721; o-Formylphenol; CHEBI:16008; Benzaldehyde, 2-hydroxy-; Benzaldehyde, o-hydroxy-; ZINC00896073; W300403_ALDRICH; S356_ALDRICH; CCRIS 7451; WLN: VHR BQ; NSC 49178; ST5213374; AIDS017916; NSC187662; AI3-02174; 2-Hydroxybenzaldehyde; 84160_FLUKA; FEMA No. 3004; o-Hydroxybenzaldehyde; 2-Formylphenol; NSC49178; BRN 0471388; EINECS 201-961-0; Salicylaldehyd; Salicylaldehyde | C7H6O2 | 122.12 g/mol | C1=CC=C(C(=C1)C=O)O |
| TCMBANKIN058285 | Saligenol | DivK1c_000657; KBioSS_001424; 2-Hydroxybenzyl alcohol; Benzenemethanol, 2-hydroxy-; 90-01-7; AIDS017759; 2-Hydroxybenzylalkohol; Spectrum3_000896; D05790; 54840_FLUKA; Diathesin; 2-Hydroxymethylphenol; 4-06-00-05896 (Beilstein Handbook Reference); KBioGR_001421; 2-Hydroxybenzenemethanol; NCGC00094779-01; NSC3814; SPECTRUM1500531; EINECS 201-960-5; .alpha.-Hydroxy-o-cresol; Spectrum2_001311; Benzyl alcohol, o-hydroxy-; InChI=1/C7H8O2/c8-5-6-3-1-2-4-7(6)9/h1-4,8-9H,5H; Spectrum_000944; NSC 3814; SPBio_001401; ZINC00002054; IDI1_000657; Spectrum4_000991; o-(Hydroxymethyl)phenol; alpha-Hydroxy-o-cresol; 2-Methylolphenol; AI3-03990; alpha,2-Dihydroxytoluene; Spectrum5_001190; KBio2_001424; Salicyl alcohol [USAN]; 2-(Hydroxymethyl)phenol; BSPBio_002510; o-Methylolphenol; o-Hydroxybenzyl alcohol; Salicyl alcohol (USAN); CHEBI:16464; KBio2_003992; .alpha.,2-Dihydroxytoluene; TOLUENE,ALPHA,2-DIHYDROXY; NINDS_000657; KBio2_006560; Salicyl alcohol; AIDS-017759; Saligenin; Salicylalkohol; NCGC00094779-02; KBio3_001812; C02323; BRN 1907195; 166952_ALDRICH; KBio1_000657 | C7H8O2 | 124.14 g/mol | C1=CC=C(C(=C1)CO)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 |
| TCMBANKIN058314 | benzaldehyde | SCHEMBL896024; A804633;Benzoic aldehyde;WLN: VHR;InChI=1/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6; CHEBI:17169; Benzene methylal; B1334_ALDRICH; Ald3-H_000012; Benzenecarbonal; Benzaldehyde (natural); NCGC00091819-01; AI3-09931; EINECS 202-860-4; Oil of Bitter Almond; ST5213372; Artificial essential oil of almond; nchembio814-comp15; LS-27; EPA Pesticide Chemical Code 008601; BENZALDEHYDE; W212709_ALDRICH; Ald3.1-H_000160; D02314; Benzenemethylal; NCI-C56133; HSDB 388; 12010_FLUKA; Ald3.1-H_000479; Benzaldehyde FFC; W212717_ALDRICH; Benzene carbaldehyde; CCRIS 2376; 100-52-7; Benzaldehyde [UN1990] [Class 9]; Caswell No. 076; Benzenecarboxaldehyde; Benzoyl hydride; Ald3.1-H_000798; Benzaldehyde (NF); Artificial Almond Oil; Benzaldehyde [USAN]; Artificial Bitter Almond Oil; 09143_FLUKA; C00261; Synthetic oil of bitter almond; FEMA No. 2127; ghl.PD_Mitscher_leg0.170; c0279; 418099_ALDRICH; Benzoic aldehyde; Benzene carboxaldehyde; benzanoaldehyde; Bitter almond oil, synthetic; UN1990; NSC7917; Almond Artificial Essential Oil; NSC 7917; Benzadehyde; Phenylmethanal | C7H6O | 106.12 | C1=CC=C(C=C1)C=O |
| TCMBANKIN058322 | baicalein | 5,6,7-trihydroxyflavanone; KBio3_002435; NCGC00025282-03; 5,6,7-trihydroxy-2-phenyl-chromen-4-one; AIDS-000731; 5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one; baicalein ; Sho-saiko-to; 5,6,7-trihydroxy-2-phenylchromen-4-one; ST057152; Spectrum_000427; SPECTRUM1504002; 5,6,7-trihydroxy-2-phenyl-chromone; KBio1_001798; KBio2_006043; NSC 661431; 11712_FLUKA; SDCCGMLS-0066744.P001; KBioSS_000907; CHEBI:2979; SMP1_000037; 5,6,7-trihydroxy-2-phenyl-4-chromenone; LMPK12140610; SPBio_000572; NCGC00025282-02; Dihydrobaicalein; Baicalein; 5,6,7-trihydroxy-2-phenyl-chroman-4-one; Spectrum4_000537; KBioGR_001173; 491-67-8; NCGC00017236-01; S00113; 465119_ALDRICH; Spectrum5_001418; Oprea1_765614; Tocris-1761; DivK1c_006854; NSC729192; AIDS000731; BSPBio_003215; SCHEMBL12068882; 5,6,7-Trihydroxyflavone; Spectrum3_001608; KBio2_003475; SpecPlus_000758; 5,6,7-Trihydroxy-2-phenyl-4H-1-benzopyran-4-one; NSC661431; NCGC00025282-01; 5,6,7-trihydroxy-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one; C10023; Spectrum2_000466; TNP00121; KBio2_000907; ZINC00017881; Biacalein; 5,6,7-trihy-droxyflavone | C15H10O5 | 270.24 g/mol | C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)O)O |
| TCMBANKIN058356 | benzyl benzoate | BSPBio_003494; Benzylester kyseliny benzoove [Czech]; Scabitox; NCGC00094981-05; Ascabin; Benzyl benzoate, SAJ first grade, >=98.0%; Antiscabiosum; Peruscabina; MLS001336003; Spectrum2_000532; KBio1_000204; s4599; NCGC00258889-01; Vanzoate; Benzoic acid, phenylmethyl ester; MolPort-001-740-297; CTK0H4808; Benzyl benzenecarboxylate; Venzonate; NCGC00094981-01; NCGC00094981-02; Benzyl phenylformate; NINDS_000204; CAS-120-51-4; NCGC00094981-07; Scabiozon; D01138; CHEMBL1239; Ascabiol; Venzoate; Benylate (TN); Benzyl benzoate, natural, >=99%, FCC, FG; Benzyl benzoate, meets USP testing specifications; ANW-17509; CHEBI:41237; SESFRYSPDFLNCH-UHFFFAOYSA-N; NSC8081; Scobenol; Tox21_111372; Caswell No. 082; Benzyl benzoate, Pharmaceutical Secondary Standard; Certified Reference Material; BENZOIC ACID,BENZYL ESTER; Spasmodin; 1dzm; Pharmakon1600-01503002; HSDB 208; DSSTox_RID_78686; AB00052298_07; SMR000471875; Benzyl alcohol benzoic ester; Spectrum3_001757; SCHEMBL3038; C-24290; InChI=1/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H; WLN: RVO1R; AC-17033; NSC 8081; B0064; Spectrum5_001128; KB-75431; AC1L1DH0; Novoscabin; SR-01000763773-2; Peruscabin; Tox21_201337; FEMA Number 2138; SPBio_000543; NCGC00094981-04; NSC-758204; DTXSID8029153; Acarobenzyl; Benzyl benzoate, >=99%; HMS2269D24; DB00676; DB-041563; BZM; KBioSS_001720; KS-00000UHX; Tox21_111372_1; Benzoic acid-benzyl ester (Benzyl benzoate); Q-200696; RL00855; Benzoesaeurebenzylester; Benzyl benzoate [USAN:JAN]; MLS001066412; Benzyl benzoate, SAJ special grade, >=99.0%; benzylbenzoate; Benzoate de benzyle; MFCD00003075; CCG-39578; Benzyl benzoate 99+ %; N863NB338G; Benzoesaurebenzylester; FEMA No. 2138; Scabide; Colebenz; Benzyl benzoate, ReagentPlus(R), >=99.0%; FT-0622708; SR-01000763773; Benzylbenzenecarboxylate; Benzyl ester; HMS500K06; HMS2092F20; AC1Q661C; Benzyl benzoate, for synthesis, 99.0%; NCGC00257502-01; EPA Pesticide Chemical Code 009501; ZINC1021; CC-24472; Benzylum benzoicum; Tox21_303418; MCULE-4369643785; BG01519431; Benzoic acid phenylmethyl ester; BDBM50134035; benzylbenzoat; DSSTox_GSID_29153; EC 204-402-9; Benzylets; I14-6951; benzoic acid benzyl; SBI-0051748.P002; 120-51-4; Scabanca; LS-2573; ST50406335; Benzyl benzoate, United States Pharmacopeia (USP) Reference Standard; DSSTox_CID_9153; KBio2_004288; Scabagen; ZB000222; KBio2_006856; D0G1VX; NSC-8081; Benzoic acid benzyl ester; FCH2703790; 4-09-00-00307 (Beilstein Handbook Reference); C12537; Spectrum4_000773; Benzyl benzoate, certified reference material, TraceCERT(R); A19449; Benzyl benzoate, tested according to Ph.Eur.; Benzoic acid, benzyl ester; Benzevan; AN-22825; Benzyl benzoate [USP:JAN]; KBio2_001720; Benzyl benzoate (natural); NCGC00094981-03; Benzylester kyseliny benzoove; DivK1c_000204; ACMC-1C8AP; SBB058609; SPECTRUM1503002; RTR-003391; HMS1921P16; IDI1_000204; KBio3_002714; KSC174Q0R; Benzoic acid benzyl ester; Benzoic acid phenylmethyl ester; UNII-N863NB338G; TR-003391; Spectrum_001240; BENZYL BENZOATE; Benzyl benzoate, 99% 250g; Benzylis benzoas; Benzyl benzoate (JP17/USP); Benzoic acid-benzyl ester 5000 ng/microl in n-Hexane; MLS001336004; AI3-00523; CHM0028580; EINECS 204-402-9; Phenylmethyl benzoate; HY-B0935; AKOS003495939; BENZOIC ACID PHENYLMETHYLESTER; NSC758204; Benylate; BENZYL BENZOATE BP98; Benzyl benzoat; Benzyl benzoate, analytical standard; KBioGR_001186; Benzyl benzoate, >=99%, FCC, FG; Benzyl benzoate, Vetec(TM) reagent grade, 98%; BRN 2049280;benzyl benzenecarboxylate;BZM | C14H12O2 | 212.24 g/mol | C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2 |
| TCMBANKIN058366 | indigo | [2,2'-BIINDOLYLIDENE]-3,3'-DIOL; (2E)-2-(3-oxo-2-indolinylidene)-3-indolinone; 2-(3-oxo-1H-indol-2-ylidene)-1H-indol-3-one; D&C Blue No. 6; CI Pigment Blue 66; (2E)-2-(3-oxoindolin-2-ylidene)indolin-3-one; Lithosol Deep Blue V; 12626-73-2; FT-0627197; ACon1_002192; NCI-C61392; Indigotin; 12000-74-7; delta(sup 2,2')-Bipseudoindoxyl; Indigo; MCULE-5170690249; 5-24-08-00503 (Beilstein Handbook Reference); ST5308404; (2,2'-Biindoline)-3,3'-dione; Modr Kypova 1 [Czech]; 93660-98-1; 11129-41-2; BRN 0088275; ZINC03861636; NCGC00163355-01; Indigo Blue, Indigotin; 2-(1,3-Dihydro-3-oxo-2H-indol-2-ylidene)-1,2-dihydro-3H-indol-3-one; 68651-46-7; AC1NUZ44; CCRIS 4379; D & C Blue No. 6; HSDB 4372; Indigo (VAN); NSC 8645; AI3-09080; MEGxp0_001924; Indigo (dye); delta2,2'-Bipseudoindoxyl; Indigo,natural; (2E)-2-(3-ketoindolin-2-ylidene)pseudoindoxyl; CI Vat Blue 1; 1H,1'H-[2,2'-BIINDOLYLIDENE]-3,3'-DIONE; C.l. 73000; (delta(sup 2,2')-Biindoline)-3,3'-dione; (delta2,2'(3H,3'H)-Biindole)-3,3'-dione; 2-(1,3-Dihydro-3-oxo-2H-indazol-2-ylidene)-1,2-dihydro-3H-indol-3-one; CTK2F4078; EINECS 207-586-9; (delta2,2'-Biindoline)-3,3'-dione (8CI); 229296_ALDRICH; (2E)-2-(3-oxo-1H-indol-2-ylidene)-1H-indol-3-one; Indigo Blue; (delta2,2'-Biindoline)-3,3'-dione; CI 73000; 2-(1,3-Dihydro-3-oxo-2H-indol-2-ylidene)-1,2-dihydro-3H-indol-3-o- ne;ZINC100513617; D&C Blue 6; (2Z)-2-(3-oxo-1H-indol-2-ylidene)-1H-indol-3-one; D&C Blue No.6; AKOS015900171; [(D)(2,2')-Biindoline]-3,3'-dione; NSC-8645; 2-(3-Hydroxy-2H-indol-2-ylidene)-2H-indol-3-ol; D+C Blue No. 6; C.I Vat blue 1; .DELTA.2,2'-Bipseudoindoxyl; [.DELTA.2,3'H)-Biindole]-3,3'-dione; cis-indigo; NSC8645; [.DELTA.2,3'-dione; ZINC137102896; (2E)-2,2'-biindole-3,3'(1H,1'H)-dione; I14-10736; KB-280044; AC1NS5IU; Indigo Blue; 2-[(2Z)-3-OXO-1H-INDOL-2-YLIDENE]-1H-INDOL-3-ONE; SCHEMBL56085; NCGC00091633-01; D And C Blue Number 6;indigotin | C16H10N2O2 | 262.26 | C1=CC=C2C(=C1)C(=C(N2)C3=NC4=CC=CC=C4C3=O)O |
| TCMBANKIN058367 | indirubin | NSC-105327; KBio2_000450; 2-(2-oxo-1H-indol-3-ylidene)-1H-indol-3-one; 2-(2-oxo-3-indolinylidene)-3-indolinone; Couroupitine B; [.DELTA.2,3'-Biindoline]-2',3-dione; MLS000759416; 479-41-4; 5-24-08-00507 (Beilstein Handbook Reference); KBio3_000839; NSC105327; NSC 105327; (2E)-2-(2-ketoindolin-3-ylidene)pseudoindoxyl; KBioGR_000450; Indigopurpurin; KBioSS_000450; (2E)-2-(2-oxo-1H-indol-3-ylidene)-1H-indol-3-one; indirubin ; (delta2,3'-Biindoline)-2',3-dione (8CI); 2-(2-ketoindolin-3-ylidene)pseudoindoxyl; (delta(sup 2,3')-BIINDOLINE)-2',3-DIONE; Indirubin; (2E)-2-(2-oxoindolin-3-ylidene)indolin-3-one; 2H-Indol-2-one, 3-(1,3-dihydro-3-oxo-2H-indol-2-ylidene)-1,3-dihydro-; SMR000466311; 2H-Indol-2-one, 3-(1,3-dihydro-3-oxo-2H-indol-2-ylidene)-1,3-dihydro- (9CI); BRN 0088279; C.I. 73200; KBio2_005586; (2E)-2-(2-oxo-3-indolinylidene)-3-indolinone; Indigo Red; KBio2_003018; EM-A05-INDIRUBIN; 2-(2-oxoindolin-3-ylidene)indolin-3-one; KBio3_000840; Bio2_000395; Bio2_000875; (2Z)-2-(2-oxo-3-indolinylidene)-3-indolinone; (2Z)-2-(2-oxo-1H-indol-3-ylidene)-1H-indol-3-one; IDI1_002150; BSPBio_001110; NCGC00163356-01; BiomolKI2_000073; NCGC00163356-02; NCGC00163356-03; BiomolKI_000069; (2Z)-2-(2-ketoindolin-3-ylidene)pseudoindoxyl; (2Z)-2-(2-oxoindolin-3-ylidene)indolin-3-one | C16H10N2O2 | 262.26 | C1=CC=C2C(=C1)C(=C(N2)O)C3=NC4=CC=CC=C4C3=O |
| TCMBANKIN058373 | glucobrassicin | 3-Indolylmethylglucosinolate; DNDNWOWHUWNBCK-LDADJPATSA-N; Glucobrassicin; indolylmethyl glucosinolate; 1-S-[(1E)-2-(1H-Indol-3-yl)-N-(sulfooxy)ethanimidoyl]-1-thiohexopyranose #; Glucobrassicine;C05837;glucosinolate | C16H20N2O9S2 | 448.47 | C1=CC=C2C(=C1)C(=CN2)CC(=NOS(=O)(=O)O)SC3C(C(C(C(O3)CO)O)O)O |
| TCMBANKIN058379 | indican | AoEassAssa(1/4)ONI; Indoxyl sulfate potassium salt; AC33706; 487-94-5 (Parent); Sulfuric acid= (1H-indol-3-yl)=potassium ester salt; TRA0056760; SMR000875350; 3-Indoxylsulfuric acid, potassium salt; Potassium indoxyl sulfate; CCG-53133; 2642-37-7; AX8087438; AK-81568; ACM2642377; KS-000018CM; 3-Indoxyl sulfate, potassium salt; SR-01000642319-1; 567HMW942W; MFCD00037931; MolPort-000-141-472; SBB100973; ST24048980; 2355AB; LS-83683; 3-Indoxyl sulfate potassium salt; 3-Indolyl sulphate potassium salt; potassium ion indol-3-yl sulfate; AKOS024306954; Indol-3-ol, potassium sulfate; ANW-58467; DTXSID70181012; 3-hydroxyindol; I14-91729; TC-147212; AKOS016003133; Indol-3-yl sulfate, potassium salt; 1309597-66-7; Indol-3-yl potassium sulfate; Urinary indican; 4CH-021488; SCHEMBL10550536; C8H6KNO4S; indol-3-yl hydroxysulfonate, potassium salt; Indican (urinary); AC1NPD4O; 3-oC>>ussAssaAoEa(1/4)O; 1H-INDOL-3-YL POTASSIUM SULFATE; 1H-Indol-3-ol,3-(hydrogen sulfate), potassium salt (1:1); MLS001361369; 39026A; UNII-567HMW942W; EINECS 220-145-5; Potassium indol-3-yl sulphate; CTK8B7765; FT-0615879; potassium 1H-indol-3-yl sulfate; ST50307657; INDOL-3-OL, HYDROGEN SULFATE (ester), POTASSIUM SALT; CHEMBL1452061; Potassium indol-3-yl sulfate; I-6350; MDAWATNFDJIBBD-UHFFFAOYSA-M;ZINC04097614; (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(1H-indol-3-yloxy)oxane-3,4,5-triol; SMP2_000304; 487-60-5; Indican glucoside; (2S,3R,4S,5S,6R)-2-(1H-indol-3-yloxy)-6-methylol-tetrahydropyran-3,4,5-triol; C08481; 1328-73-0; (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(1H-indol-3-yloxy)tetrahydropyran-3,4,5-triol;Indican, plant | C14H17NO6 | 295.29g/mol | C1=CC=C2C(=C1)C(=CN2)OC3C(C(C(C(O3)CO)O)O)O |
| TCMBANKIN058390 | tryptanthrine | AC1L2K2A; SMR000386951; Indolo(2,1-b)quinazoline-6,12-dione; NSC-349447; MLS001049121; SR-01000521538-1; Indolo(2,1-b)quinazoline-6,12-dione (8CI)(9CI); FT-0733127; Couroupitine a; Tryptanthrin; KS-00000C3R; C-45803; Tryptantherin; NCGC00160337-02; GNF-PF-2691; NSC349447; AK-57813; TCMDC-125859; Tryptanthrin, >=98% (HPLC); NCI60_003113; ZB000930; DS-15687; KB-254423; SR-01000521538-4; ST047334; CHEMBL306946; CJ-00188; Indolo[2,1-b]quinazoline-6,12-dione; 5941AA; NCGC00160337-01!TRYPTANTHRINE; 13220-57-0; SCHEMBL2426211; STK078931; NCGC00160337-01; AKOS000671350; Bio-0284; HMS2271H05; Indolo[2,1-b]quizoline-6,12-dione; SY017117; 11-hydrobenzo[d]quinazolino[3,2-a]azolidine-6,12-dione; ANW-68868; ZINC33299; MCULE-7521697515; CTK0H6551; TRA0036916; SR-01000521538; J-006143; AX8156048; BDBM50240612; AC1Q1HJD; TC-157613; K-4146; Tryptanthrine; D0I9AT; MFCD00012073; GTPL8224; CCG-208326; NSC 349447; AJ-08570; CHEBI:9768; DTXSID90157431; VQQVWGVXDIPORV-UHFFFAOYSA-N; C10742; Oprea1_754264; Indolo[2,12-dione; MolPort-002-516-459; AC1L2K2A; indolo[2,1-b]quinazoline-6,12-quinone; SMR000386951; Indolo(2,1-b)quinazoline-6,12-dione; NSC-349447; MLS001049121; SR-01000521538-1; Indolo(2,1-b)quinazoline-6,12-dione (8CI)(9CI); FT-0733127; Couroupitine a; Tryptanthrin; KS-00000C3R; C-45803; Tryptantherin; NCGC00160337-02; GNF-PF-2691; NSC349447; AK-57813; TCMDC-125859; Tryptanthrin, >=98% (HPLC); NCI60_003113; ZB000930; DS-15687; KB-254423; SR-01000521538-4; ST047334; CHEMBL306946; CJ-00188; tryptanthrin ; Indolo[2,1-b]quinazoline-6,12-dione; 5941AA; NCGC00160337-01!TRYPTANTHRINE; 13220-57-0; SCHEMBL2426211; STK078931; NCGC00160337-01; AKOS000671350; Bio-0284; indolo[2,1- b]quinazoline alkaloid; HMS2271H05; indolo-[2,1-b]-quinazoline-6,12-dione; Indolo[2,1-b]quizoline-6,12-dione; SY017117; 11-hydrobenzo[d]quinazolino[3,2-a]azolidine-6,12-dione; ANW-68868; ZINC33299; MCULE-7521697515; CTK0H6551; TRA0036916; AIDS017287; SR-01000521538; J-006143; ZINC00033299; AX8156048; BDBM50240612; 6,12-dihydro-6, 12-dioxoindolo-(2,1-b)-quinazoline; AC1Q1HJD; TC-157613; K-4146; Tryptanthrine; D0I9AT; MFCD00012073; GTPL8224; CCG-208326; NSC 349447; AJ-08570; AIDS-017287; CHEBI:9768; DTXSID90157431; VQQVWGVXDIPORV-UHFFFAOYSA-N; C10742; Oprea1_754264; Indolo[2,12-dione; MolPort-002-516-459; tryptanthrin | C15H8N2O2 | 248.24 g/mol | C1=CC=C2C(=C1)C(=O)N3C4=CC=CC=C4C(=O)C3=N2 |
| TCMBANKIN058440 | 2-furancarboxaldehyde | 2-Furfuraldehyde; NCGC00091328-01; Furale; Caswell No. 466; CCRIS 1044; Nci-C56177; Fural; NSC8841; Furaldehydes [UN1199] [Poison]; LS-28; AI3-04466; EPA Pesticide Chemical Code 043301; 2-Furylcarboxaldehyde; 2-Furil-metanale [Italian]; NSC 8841; Furol; Furfural; 2-furfural; 2- Furfuraldehyde; furaldehyde; 48070_FLUKA; 2-Furylaldehyde xypropane; F1294-0048; 39276-09-0; Furfural (2-Furfurol, 2-Furaldehyde); Furfural, natural, >=98%, FCC, FG; Furfural, ACS reagent, 99%; FEMA No. 2968; CTK1B4104; Tox21_111114; Rcra waste number U125; 2-Furylcarboxaldehyde; KSC214C0J; 2-Furylaldehyde; 72277-EP2308870A2; ST50213385; EC 202-627-7; 2-furancarbaldehyde; QSPL 102; AKOS000118907; I14-0911; alpha-Furole; FURFURAL; AC1L1OL7; 2-Furil-metanale; BRN 0105755; furan-2-carboxaldehydl; Artificial ant oil; Fuf ural; BIDD:ER0698; F0073; QSPL 006; 2-Furancarbonal; 2-Furfural; WOOD VINEGAR; 2-Furaldehyde; Furfuraldehyde; 2-Furankarbaldehyd [Czech]; Furfurol; I14-22069; RL06103; 72277-EP2308867A2; CCRIS 1044; Fural; furfuraldehydl; Tox21_300170; EPA Pesticide Chemical Code 067206; KB-24259; Furaldehydes [UN1199] [Poison]; HYBBIBNJHNGZAN-UHFFFAOYSA-N; FEMA No. 2967; 2-Furil-metanale [Italian]; SC-18048; Furaldehydes; WLN: T5OJ BVH; ACMC-20978u; Furyl-methanal; 5-17-09-00292 (Beilstein Handbook Reference); Furfurylaldehyde; ZINC3861345; Furfurole; Furfurale [Italian]; UNII-N4G9GAT76C component HYBBIBNJHNGZAN-UHFFFAOYSA-N; Furaldehydes [UN1199] [Poison]; Tox21_202191; TRA0077688; 2-Furyl-methanal; CAS-98-01-1; Furfural (natural); 2-furaldehydl; EBD294; Caswell No. 904; 2-Furankarbaldehyd; 2-Furanaldehyde; FEMA No. 2489; BP-31002; Pyroligneous acids; CHEMBL189362; Artificial oil of ants; NCGC00253954-01; 2-Formylfuran; DSSTox_GSID_20647; DB-003668; Furol; NCGC00259740-01; LS-162370; 2-furan-carboxaldehyde; alpha-Furfuraldehyde; Caswell No. 466; NCGC00091328-04; Nci-C56177; Furfural, 99%; 2-FURANCARBOXALDEHYDE, ACS; LS-28; DTXSID1020647; AC1Q6PVV; AI3-04466; FEMA 2489; Fufural; furan-2-carbaldehyde; Ant Oil, artificial; Bran oil; Quakeral; Ant Oil; HSDB 542; Furane-2-carbaldehyde; STL283124; A845786; 2-Furylmethanal; ANW-13660; Furfurale; Wood Tar; RTC-069695; DSSTox_RID_75709; DJ1HGI319P; Furaldehyde; 2-Formylofuran; Furfural, for synthesis, 98.0%; UN1199; MCULE-5757882837; 2-Furancarboxaldehyde; 2-Furaldehyde, 8CI; NCGC00091328-02; Furfural, >=98%, FCC, FG; Qo furfural; furan-2-aldehyde; a-Furole; SBB004386; 2-furanal; 1998/1/1; Furale; NSC-8841; 72277-EP2277848A1; NSC8841; Furfural, SAJ first grade, >=99.0%; 2-Formyl furan; EPA Pesticide Chemical Code 043301; NSC 8841; U1199; UNII-DJ1HGI319P; EINECS 202-627-7; NCGC00091328-03; 2-Furaldehyde, 98% 250g; furan-2 carbaldehyde; Pyroligneous vinegar; CS-0015696; Furancarbonal; CHEBI:34768; a-furfuraldehyde; Furancarboxaldehyde; .alpha.-Furole; Pyromucic aldehyde; Furfuralu; Furole; RCRA waste no. U125; KS-00000WKJ; MolPort-000-871-210; EINECS 232-450-0; Furfural, analytical reference material; 2-Formylofuran [Polish]; DSSTox_CID_647; STR00358; InChI=1/C5H4O2/c6-4-5-2-1-3-7-5/h1-4; MFCD00003229; 2-furancarboxyaldehyde; AM81812; Pyroligneous acid extract; C14279; Furan-2-carboxaldehyde; EINECS 202-627-7; furan-2-carbaldehyde; WLN: T5OJ BVH; 2-Furylaldehyde; Ant Oil, artificial; Furancarbonal; Bran oil; Furyl-methanal; 5-17-09-00292 (Beilstein Handbook Reference); Furfurylaldehyde; HSDB 542; Quakeral; Furfurole; Furfurale [Italian]; Furfurale; .alpha.-Furole; FURFURAL; Pyromucic aldehyde; ZINC03861345; 2-Furyl-methanal; 2-Furil-metanale; BRN 0105755; Furole; Furfural (natural); RCRA waste no. U125; Furaldehyde; Artificial ant oil; 2-Furaldehyde, purified; W248908_ALDRICH; 2-Formylofuran [Polish]; UN1199; 2-Furanaldehyde; FEMA No. 2489; 2-Furancarboxaldehyde; 185914_ALDRICH; 2-Furancarbonal; 2-Furfural; InChI=1/C5H4O2/c6-4-5-2-1-3-7-5/h1-4; Artificial oil of ants; 2-Furaldehyde; RCRA waste number U125; 319910_SIAL; 2-Formylfuran; Furfuraldehyde; C14279; Furan-2-carboxaldehyde; Furfurol; SBB004386; 98-01-1; W248924_ALDRICH; 2-Furankarbaldehyd [Czech]; 2-Furylaldehyde xypropane; F1294-0048; 39276-09-0; Furfural (2-Furfurol, 2-Furaldehyde); Furfural, natural, >=98%, FCC, FG; Furfural, ACS reagent, 99%; FEMA No. 2968; CTK1B4104; Tox21_111114; Rcra waste number U125; 2-Furylcarboxaldehyde; KSC214C0J; 2-Furylaldehyde; 72277-EP2308870A2; ST50213385; EC 202-627-7; 2-furancarbaldehyde; QSPL 102; AKOS000118907; I14-0911; alpha-Furole; FURFURAL; AC1L1OL7; 2-Furil-metanale; BRN 0105755; furan-2-carboxaldehydl; Artificial ant oil; Fuf ural; BIDD:ER0698; F0073; QSPL 006; 2-Furancarbonal; 2-Furfural; WOOD VINEGAR; 2-Furaldehyde; Furfuraldehyde; 2-Furankarbaldehyd [Czech]; Furfurol; I14-22069; RL06103; 72277-EP2308867A2; CCRIS 1044; Fural; furfuraldehydl; Tox21_300170; EPA Pesticide Chemical Code 067206; KB-24259; Furaldehydes [UN1199] [Poison]; HYBBIBNJHNGZAN-UHFFFAOYSA-N; FEMA No. 2967; 2-Furil-metanale [Italian]; SC-18048; Furaldehydes; WLN: T5OJ BVH; ACMC-20978u; Furyl-methanal; 5-17-09-00292 (Beilstein Handbook Reference); Furfurylaldehyde; ZINC3861345; Furfurole; Furfurale [Italian]; UNII-N4G9GAT76C component HYBBIBNJHNGZAN-UHFFFAOYSA-N; Furaldehydes [UN1199] [Poison]; Tox21_202191; TRA0077688; 2-Furyl-methanal; CAS-98-01-1; Furfural (natural); 2-furaldehydl; EBD294; Caswell No. 904; 2-Furankarbaldehyd; 2-Furanaldehyde; FEMA No. 2489; BP-31002; Pyroligneous acids; CHEMBL189362; Artificial oil of ants; NCGC00253954-01; 2-Formylfuran; DSSTox_GSID_20647; DB-003668; Furol; NCGC00259740-01; LS-162370; 2-furan-carboxaldehyde; alpha-Furfuraldehyde; Caswell No. 466; NCGC00091328-04; Nci-C56177; Furfural, 99%; 2-FURANCARBOXALDEHYDE, ACS; LS-28; DTXSID1020647; AC1Q6PVV; AI3-04466; FEMA 2489; Fufural; furan-2-carbaldehyde; Ant Oil, artificial; Bran oil; Quakeral; Ant Oil; HSDB 542; Furane-2-carbaldehyde; STL283124; A845786; 2-Furylmethanal; ANW-13660; Furfurale; Wood Tar; RTC-069695; DSSTox_RID_75709; DJ1HGI319P; Furaldehyde; 2-Formylofuran; Furfural, for synthesis, 98.0%; UN1199; MCULE-5757882837; 2-Furancarboxaldehyde; 2-Furaldehyde, 8CI; NCGC00091328-02; Furfural, >=98%, FCC, FG; Qo furfural; furan-2-aldehyde; a-Furole; SBB004386; 2-furanal; 1998/1/1; Furale; NSC-8841; 72277-EP2277848A1; NSC8841; Furfural, SAJ first grade, >=99.0%; 2-Formyl furan; EPA Pesticide Chemical Code 043301; NSC 8841; U1199; UNII-DJ1HGI319P; EINECS 202-627-7; NCGC00091328-03; 2-Furaldehyde, 98% 250g; furan-2 carbaldehyde; Pyroligneous vinegar; CS-0015696; Furancarbonal; CHEBI:34768; a-furfuraldehyde; Furancarboxaldehyde; .alpha.-Furole; Pyromucic aldehyde; Furfuralu; Furole; RCRA waste no. U125; KS-00000WKJ; MolPort-000-871-210; EINECS 232-450-0; Furfural, analytical reference material; 2-Formylofuran [Polish]; DSSTox_CID_647; STR00358; InChI=1/C5H4O2/c6-4-5-2-1-3-7-5/h1-4; MFCD00003229; 2-furancarboxyaldehyde; AM81812; Pyroligneous acid extract; C14279; Furan-2-carboxaldehyde | C5H4O2 | 96.08 g/mol | C1=COC(=C1)C=O |
| TCMBANKIN058518 | epigallocatechin | Spectrum5_000889; (2S,3R)-2-(3,4,5-Trihydroxyphenyl)-chroman-3,5,7-triol; 08108_FLUKA; KBio2_003854; KBioSS_001286; epi-Gallocatechin; (−)-Epigallocatechin; SPBio_000885; Epigallocatechol; (2S,3S)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol; AIDS-001348; Spectrum_000806; NCI60_026204; BCBcMAP01_000207; (2S,3S)-(+)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol; MCULE-9338438267; CCRIS 5441; CHEBI:42255; Spectrum4_000950; 136892-45-0; (2R,3R)-2-(3,4,5-trihydroxyphenyl)chroman-3,5,7-triol; (3,3',4',5,5',7-Hexahydroxyflavan); (−)-cis-2-(3,4,5-Trihydroxyphenyl)-3,4-dihydro-1(2H)-benzopyran-3,5,7-triol; SCHEMBL1972938; (+)-epigallocatechin; AIDS001348; KBio3_001136; SDCCGMLS-0066479.P001; EGC; 1-epi-3',4',5,5',7-Pentahydroxy-3-Flavan; NSC674039; 2H-1-Benzopyran-3,5,7-triol, 3,4-dihydro-2-(3,4,5-trihydroxyphenyl)-, (2R-cis)- (9CI); 970-74-1; E3768_SIAL; EPIGALLOCATECHIN; C12136; 2H-1-Benzopyran-3,5,7-triol, 3,4-dihydro-2-(3,4,5-trihydroxyphenyl)-, (2R-cis)-; KBio2_006422; Antiscurvy factor C2; NCGC00180795-01; SpecPlus_000269; Factor C2 (antiscurvy); (-)cis-2-(3,4,5-Trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol; (-)-3,3',4',5,5',7-Flavanhexol; 98032-84-9; l-Epigallocatechol; MolPort-001-740-311; 3,3',4',5,5',7-Flavanhexol; BSPBio_001636; (-)-Epigallocatechol; (2S,3S)-2-(3,4,5-Trihydroxy-phenyl)-chroman-3,5,7-triol; (-)-Epigallocatechin; (2R,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol; 3BC1BF1C-D95B-4EB2-943E-C1F59C7501A0; KBio1_001309; (2S,3S)-epigallocatechin; KBioGR_001540; SPECTRUM205113; ZINC3870339; CHEBI:71227; (2S,3S)-flavan-3,3',4',5,5',7-hexol; CHEMBL130415; (+)-epi-gallocatechin; NP-000358; Spectrum3_000248; (−)-cis-3,3′,4′,5,5′,7-Hexahydroxyflavane; 2-(3,4,5-TRIHYDROXY-PHENYL)-CHROMAN-3,5,7-TRIOL; (+)-cis-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-1(2H)-benzopyran-3,5,7-triol; Antiscurvy factor C(sub 2); 2545-09-7; ACon1_000192; SMP1_000114; KBio2_001286; L-Epigallocatechin; DivK1c_006365; (2S,3S)-2-(3,4,5-TRIHYDROXYPHENYL)-3,4-DIHYDRO-2H-1-BENZOPYRAN-3,5,7-TRIOL; Spectrum2_000703; (+)-cis-3,3',4',5,5',7-hexahydroxyflavane; BDBM50135171; (2S,3S)-flavan-3,5,7,3',4',5'-hexol;l-epigallocatechin | C15H14O7 | 306.27 | C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)O |
| TCMBANKIN058704 | lupeol | AC-1371; AKOS015960466; SCHEMBL14067725; 4CN-0933; C08628; BC201808; Lup-20(29)-en-3.beta.-ol; NSC90487; ZINC04081455; D0RA6H; Lupeol; LMPR01060013; lupeol ; Monogynol B; .beta.-Viscol; NCI60_042005; lup-20(29)-en-3beta-ol; Lupenol | C30H50O | 426.7 g/mol | CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C |
| TCMBANKIN058705 | 23-hydroxy betulinic acid | Pulchinenoside A_qt;23-hydroxybetulinic acid | C30H48O3 | 456.7 g/mol | CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C(=O)O |
| TCMBANKIN058706 | betulin | AKOS025402304; Ambotz473-98-3; betulin ; AC-7983; SCHEMBL9888462; (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13bR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-1H-cyclopenta[a]chrysen-9-ol; FVWJYYTZTCVBKE-MAIYTPNSSA-N; ; Trochol; 18211-63-7; C08618; Messagenin; 473-98-3; AIDS002710; B9757_SIGMA; ZINC03978650; Prestwick3_000990; Betulin; MEGxp0_001726; AI3-62999; BSPBio_001059; Lup-20(30)-ene-3beta,28-diol; C08631; Betulinol; ACon1_000091; AIDS-002710; Lup-20(29)-ene-3beta,28-diol; BPBio1_001165; Betuline; Lup-20(29)-ene-3,28-diol, (3beta)-; NSC 4644; (3.beta.)-Lup-20(29)-ene-3,28-diol; NSC692218; EINECS 207-475-5; Betulinic alcohol; ST5411404; Trochol | C30H50O2 | 442.7g/mol | CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)CO |
| TCMBANKIN058923 | paeonol | CBiol_000986; 2′-Hydroxy-4′-methoxyacetophenone; KBio3_002432; SPBio_002161; InChI=1/C9H10O3/c1-6(10)8-4-3-7(12-2)5-9(8)11/h3-5,11H,1-2H; Spectrum3_001686; 1-(2-hydroxy-4-methoxy-phenyl)ethanone; paeonol ; H35803_ALDRICH; ST5331356; NCGC00095977-01; SPECTRUM1601021; AIDS-002237; AIDS002237; Resacetophenone-4-methyl ether; 2-Hydroxy-4-methoxyacetophenone; Spectrum2_001981; Paeonol; 1-(2-Hydroxy-4-methoxyphenyl)ethanone; AI3-10581; BSPBio_003212; Peonol; 4-08-00-01793 (Beilstein Handbook Reference); C10712; 1-[2-hydroxy-4-(methyloxy)phenyl]ethanone; 2-Acetyl-5-methoxy-phenol; Acetophenone, 2'-hydroxy-4'-methoxy- (7CI,8CI); NSC 401442; Paeonal; SDCCGMLS-0066845.P001; ZINC00001906; Resacetophenone, 4-O-methyl ester; Ethanone, 1-(2-hydroxy-4-methoxyphenyl)-; 4-O-Methylresacetophenone; Acetophenone, 2'-hydroxy-4'-methoxy-; 2-hydroxy-4-methoxyacetophenone; 2'-Hydroxy-4'-methoxyacetophenone; ICCB4_000282; BRN 1282794; EINECS 209-012-2; Ethanone, 1-(2-hydroxy-4-methoxyphenyl)- (9CI); 552-41-0; 2'-hydroxy-4'-methoxyacetophenone; NSC401442; KBio3_002432; Paeonol (Peonol); CHEMBL1079227; SPECTRUM1601021; AKOS000119646; RTC-067540; M-2917; UILPJVPSNHJFIK-UHFFFAOYSA-N; Resacetophenone-4-methyl ether; BBL012127; 1-(2-Hydroxy-4-methoxyphenyl)ethanone; ST45027685; 1-(2-hydroxy-4-methoxyphenyl)ethane-1-one; UNII-3R834EPI82; Resacetophenone, 4-O-methyl ester; 4CN-0677; SR-05000002397-1; EINECS 209-012-2; FT-0618875; 2-acetyl-5-methoxyphenol; Ethanone, 1-(2-hydroxy-4-methoxyphenyl)- (9CI); 552-41-0; AC1Q48VO; TRA0005840; SY013508; MCULE-2846207321; Paeonolum; 1-(2-hydroxy-4-methoxyphenyl)-ethanone; AB0044007; MolPort-001-537-637; SCHEMBL1449478; CCG-39471; AN-1408; 2;-Hydroxy-4;-methoxyacetophenone; CP0063; KSC490C8B; HMS3656E07; C10712; 1-[2-hydroxy-4-(methyloxy)phenyl]ethanone; AC1Q48VN; ACN-027221; SDCCGMLS-0066845.P001; KB-146762; FT-0602529; MLS006011902; CHEBI:69581; SMR000112386; Acetophenone, 2'-hydroxy-4'-methoxy-; 2'-Hydroxy-4'-methoxyacetophenone; CTK3J0180; AM20040702; BB_SC-2796; CBiol_000986; BRD-K94239562-001-02-2; InChI=1/C9H10O3/c1-6(10)8-4-3-7(12-2)5-9(8)11/h3-5,11H,1-2H; AS05193; Q-100626; 1-(2-Hydroxy-4-methoxyphenyl)ethanone #; HY-N0159; STK078097; I06-0541; MFCD00008730; NSC-401442; 3R834EPI82; KS-000004VU; PubChem3271; AK-79421; SR-05000002397; 1-(2-hydroxy-4-methoxy-phenyl)-ethanone; TC-067540; 4-Methoxy-2-hydroxyacetophenone; Acetophenone, 2'-hydroxy-4'-methoxy- (7CI,8CI); LS-101156; AJ-08110; 552H410; Paeonal; NSC 401442; SC-05288; N1847; 1-(2-hydroxy-4-methoxyphenyl)ethan-1-one; BDBM50310718; AS-15489; 4-O-Methylresacetophenone; NCGC00095977-02; ICCB4_000282; ACT07801; NSC401442; SPBio_002161; AC1L1WLK; Spectrum3_001686; 1-(2-hydroxy-4-methoxy-phenyl)ethanone; 4-methoxy 2-hydroxy acetophenone; ACMC-209lls; s2339; ST24021015; NCGC00095977-01; PAEONOL; ANW-32270; 2-HYDROXY-4-METHOXYACETOPHENONE (4,4,4-D3); 2-Hydroxy-4-methoxyacetophenone; Spectrum2_001981; AI3-10581; BSPBio_003212; Peonol; 4-08-00-01793 (Beilstein Handbook Reference); 2-Acetyl-5-methoxy-phenol; 1-acetyl-2-hydroxy-4-methoxybenzene; NCGC00095977-03; CJ-00070; Ethanone, 1-(2-hydroxy-4-methoxyphenyl)-; DTXSID1022059; AC-7982; BRN 1282794; SBB066134; ZINC1906; ACN-S003528; 4'-Methoxy-2'-hydroxyacetophenone; 1-(4-Methoxy-2-hydroxy-phenyl)-ethanone; RP02462; P565; 2'-Hydroxy-4'-methoxyacetophenone, 99%; ethanone,1-(2-hydroxy-4-methoxyphenyl)-; peonol; Ethanone,1-(2- Hydroxy- 4- methoxyphenyl); 1-(2-hydroxy-4-methoxyphenyl)-ethanone; paeonal | C9H10O3 | 166.17 g/mol | CC(=O)C1=C(C=C(C=C1)OC)O |
| TCMBANKIN058937 | WLN: QR BV1;1-(2-hydroxyphenyl)ethanone | EINECS 204-288-0; Methyl 2-hydroxyphenyl ketone; NSC44452; o-Hydroxyphenyl methyl ketone; AI3-12134; AIDS-017966; Acetophenone, o-hydroxy-; 1-(2-Hydroxyphenyl)ethanone; NSC16933; AIDS017966; FEMA No. 3548; 2-Acetylphenol; Usaf ke-20; o-Acetylphenol; NSC9263; ST5213425; 2-Hydroxyphenyl methyl ketone; BRN 0386123; InChI=1/C8H8O2/c1-6(9)7-4-2-3-5-8(7)10/h2-5,10H,1H; ACETOPHENONE,2-HYDROXY; Acetophenone, 2'-hydroxy-; 2′-Hydroxyacetophenone; o-Hydroxyacetophenone; 54150_FLUKA; 118-93-4; 4-08-00-00320 (Beilstein Handbook Reference); NSC 16933; H18607_ALDRICH; Ethanone, 1-(2-hydroxyphenyl)-; ZINC01699884; 2'-Hydroxyacetophenone; W354805_ALDRICH; Acetophenone, 2'-hydroxy- (8CI) | C8H8O2 | 136.15 g/mol | CC(=O)C1=CC=CC=C1O |
| TCMBANKIN058953 | galloyl pedunculagin | ellagitannin; galloyl pedunculagin | C44H32O27 | 992.7 g/mol | CC(=O)CC1(C(=O)C=C2C3C1(OC4=C3C(=CC(=C4O)O)C(=O)OC5C6COC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)OC5C(C(O6)OC(=O)C9=CC(=C(C(=C9)O)O)O)OC2=O)O)O)O)O)O)O)O)O |
| TCMBANKIN059086 | Phenol, 2,4-bis(1,1-dimethylethyl) | phenol,2,4-bis(1,1-dimethylethyl);Phenol, 2,4-di(1,1-dimethylethyl)-; Prodox 146A-85X; WLN: 1X1&1&R BQ CX1&1&1; 137731_ALDRICH; ZINC01081075; 96-76-4; EINECS 202-532-0; 2,4-DI-T-BUTYLPHENOL; 1-Hydroxy-2,4-di-tert-butylbenzene; InChI=1/C14H22O/c1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6/h7-9,15H,1-6H; Phenol, 2,4-di-tert-butyl-; Prodox 146; NSC174502; 4-06-00-03493 (Beilstein Handbook Reference); 2,4-ditert-butylphenol; NSC 174502; ST5308551; 2,4-Di-tert-butylphenol; Phenol, 2,4-bis(1,1-dimethylethyl)-; NCGC00164059-01; 50356-26-8; 34785_FLUKA; BRN 1910383;2,4-di-tert-butylphenol;Antioxidant No. 33 | C14H22O | 206.32 g/mol | CC(C)(C)C1=CC(=C(C=C1)O)C(C)(C)C |
| TCMBANKIN059108 | trans-β-terpinylbenzoate | trans-.beta.-Terpinyl benzoate;1-Methyl-1-(4-methylenecyclohexyl)ethyl benzoate; [1-methyl-1-(4-methylenecyclohexyl)ethyl] benzoate; benzoic acid [1-methyl-1-(4-methylenecyclohexyl)ethyl] ester; 2-(4-methylidenecyclohexyl)propan-2-yl benzoate | C17H22O2 | 258.35 g/mol | CC(C)(C1CCC(=C)CC1)OC(=O)C2=CC=CC=C2 |
| TCMBANKIN059519 | z-1s,5R-β-pinen-10-yl-β-vicianoside | C21H34O10 | 446.49 | CC1(C2CCC(=C(C3C(C(C(C(O3)OC)O)O)O)OC4C(C(C(CO4)O)O)O)C1C2)C | |
| TCMBANKIN059614 | Amyrin | C30H50O | 426.72 | CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)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 | |
| TCMBANKIN059902 | 1-Methyl-4-isopropenyl-benzene | C10H12 | 132.2 g/mol | CC1=CC=C(C=C1)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 | |
| TCMBANKIN060069 | paeoniflorgenone;Paeoniflorigenone | C17H18O6 | 318.32 | CC12CC(=O)C3CC1(OC(C3COC(=O)C4=CC=CC=C4)O2)O | |
| TCMBANKIN060070 | albiflorin R1 | C23H28O11 | 480.51 | CC12CC(C3CC1(C3(C(=O)O2)COC(=O)C4=CC=CC=C4)OC5C(C(C(C(O5)CO)O)O)O)O | |
| TCMBANKIN060072 | oxypaeoniflorin | C23H28O12 | 496.46 | CC12CC3(C4CC1(C4(C(O2)O3)COC(=O)C5=CC=C(C=C5)O)OC6C(C(C(C(O6)CO)O)O)O)O | |
| TCMBANKIN060074 | galloylpaeoniflorine | C30H32O15 | 632.57 | CC12CC3(C4CC1(C4(C(O2)O3)COC(=O)C5=CC=CC=C5)OC6C(C(C(C(O6)COC(=O)C7=CC(=C(C(=C7)O)O)O)O)O)O)O | |
| TCMBANKIN060082 | 11α, 12α-epoxy--3β, 23dihy-droxyolean-28, 13β-olide | C29H42O5 | CC12CCC(C(C1CCC3(C2C4C(O4)C56C3(CCC7(C5CC(=C)CC7)C(=O)O6)C)C)(C)CO)O | ||
| TCMBANKIN060140 | friedelan-3-one | C30H50O | 426.7 g/mol | CC1C(=O)CCC2C1(CCC3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C)C)C)C)C)C | |
| TCMBANKIN060313 | epifriedelinol | C30H52O | 428.73 g/mol | CC1C(CCC2C1(CCC3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C)C)C)C)C)C)O | |
| TCMBANKIN060679 | stigmasterol | C29H48O | 412.7 g/mol | CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C | |
| TCMBANKIN060693 | Sitogluside | C35H60O6 | 576.85g/mol | CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C | |
| TCMBANKIN060705 | methyl linoleate | C19H34O2 | 294.47 | CCC=CCC=CCC=CCCCCCCCC(=O)OC | |
| TCMBANKIN060733 | p-ethylphenol | C8H10O | 122.16 g/mol | CCC1=CC=C(C=C1)O | |
| TCMBANKIN060879 | Linolic acid | C18H32O2 | 280.4 g/mol | CCCCCC=CCC=CCCCCCCCC(=O)O | |
| TCMBANKIN060884 | linoleyl alcohol | C18H34O | 266.46 g/mol | CCCCCC=CCC=CCCCCCCCCO | |
| TCMBANKIN060888 | caproaldehyde | C6H12O | 100.16 g/mol | CCCCCC=O | |
| TCMBANKIN060957 | ELD | C18H35NO | 281.48g/mol | CCCCCCCCC=CCCCCCCCC(=O)N | |
| TCMBANKIN060958 | oleic acid;cis-oleic acid;oleinic acid | C18H34O2 | 282.46 | CCCCCCCCC=CCCCCCCCC(=O)O | |
| TCMBANKIN061006 | lauric acid | C12H24O2 | 200.32 | CCCCCCCCCCCC(=O)O | |
| TCMBANKIN061016 | tridecane | C13H28 | 184.36 g/mol | CCCCCCCCCCCCC | |
| TCMBANKIN061029 | myristic acid | C14H28O2 | 228.37 | CCCCCCCCCCCCCC(=O)O | |
| TCMBANKIN061030 | Methyl myristate | C15H30O2 | 242.4 g/mol | CCCCCCCCCCCCCC(=O)OC | |
| TCMBANKIN061045 | PENTADECYLIC ACID | C15H30O2 | 242.4 g/mol | CCCCCCCCCCCCCCC(=O)O | |
| TCMBANKIN061058 | n-hexadecane | C16H34 | 226.44 g/mol | CCCCCCCCCCCCCCCC | |
| TCMBANKIN061071 | Ethylpalmitate | C18H36O2 | 284.5 g/mol | CCCCCCCCCCCCCCCC(=O)OCC | |
| TCMBANKIN061085 | n-heptadecane;heptadecane;Heptadekan | C17H36 | 240.5 g/mol | CCCCCCCCCCCCCCCCC | |
| TCMBANKIN061090 | n-octadecane;Oktadekan;octadecane | C18H38 | 254.49g/mol | CCCCCCCCCCCCCCCCCC | |
| TCMBANKIN061102 | LFA | C20H42 | 282.55 g/mol | CCCCCCCCCCCCCCCCCCCC | |
| TCMBANKIN061111 | heneicosane | C21H44 | 296.57 | CCCCCCCCCCCCCCCCCCCCC | |
| TCMBANKIN061116 | n-docosane;TWT;docosane | C22H46 | 310.6 g/mol | CCCCCCCCCCCCCCCCCCCCCC | |
| TCMBANKIN061122 | tricosane | C23H48 | 324.63 g/mol | CCCCCCCCCCCCCCCCCCCCCCC | |
| TCMBANKIN061124 | Methyl tricosanoate;tricosanoicacid,methylester | C24H48O2 | 368.64 | CCCCCCCCCCCCCCCCCCCCCCC(=O)OC | |
| TCMBANKIN061127 | n-tetracosane | C24H50 | 338.65 | CCCCCCCCCCCCCCCCCCCCCCCC | |
| TCMBANKIN061133 | HEXACOSANE | C26H54 | 366.71 | CCCCCCCCCCCCCCCCCCCCCCCCCC | |
| TCMBANKIN061254 | ethyl gallate;gallic acid ethyl ester;Progallin A | C9H10O5 | 198.17 g/mol | CCOC(=O)C1=CC(=C(C(=C1)O)O)O | |
| TCMBANKIN061401 | Methylgallate | BRN 2113180; methyl gallate ; Gallic acid methyl ester; Benzoic acid, 3,4,5-trihydroxy-, methyl ester; ZINC00021789; InChI=1/C8H8O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3,9-11H,1H; 3,4,5-trihydroxybenzoic acid methyl ester; NSC363001; NSC 363001; methyl gallate; CCRIS 5567; EINECS 202-741-7; AIDS-026332; METHYL GALLATE; 99-24-1; meGAL; MLS000574912; AI3-00861; 4-10-00-01998 (Beilstein Handbook Reference); 274194_ALDRICH; AIDS026332; SMR000156263; Gallic acid, methyl ester; 48690_FLUKA; Methyl 3,4,5-trihydroxybenzoate; gallincin | C8H8O5 | 184.15 | COC(=O)C1=CC(=C(C(=C1)O)O)O |
| TCMBANKIN061561 | vanillic acid | CJ-02984; CHEBI:16632; Vanillate; CHEBI:30816; H36001_ALDRICH; InChI=1/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11; BRN 2208364; WKOLLVMJNQIZCI-UHFFFAOYSA-M; 94770_FLUKA; WLN: QVR DQ CO1; MLS000574833; Acide vanillique; vanillicacid; C06672; m-Anisic acid, 4-hydroxy-; VA (VAN); vanil-lic acid; 4-Hydroxy-3-methoxybenzoic acidion; 4-Hydroxy-3-methoxybenzoic acid; Protocatechuic acid, 3-methyl ester; NSC3987; NSC 674322; DB02130; VANILLIC ACID; p-Vanillic acid; NSC 3987; ZB010900; 4-Hydroxy-3-methoxybenzoate; AIDS-018089; p-Hydroxy-m-methoxy-benzonic acid; 3-Methoxy-4-hydroxybenzoic acid; 4-hydroxy-3-methoxy-benzoic acid; NSC674322; 6746-48-1; 121-34-6; AC1L2LVA; Benzoic acid, 4-hydroxy-3-methoxy-; AI3-19542; SMR000156289; AIDS018089; SBB008280; W398802_ALDRICH; EINECS 204-466-8; 4-hydroxy-3-methoxy benzoic acid; 3-methoxy-4-hydroxybenzoic acid | C8H8O4 | 168.15 g/mol | COC1=C(C=CC(=C1)C(=O)O)O |
| TCMBANKIN061568 | EUG | 4-vinyl-2-methoxy-phenol;2- methoxy—vinylphenol;2-Methoxy-4-vinylphenol;2-methoxy-4-vinylphenol;4-Hydroxy-3-methoxyvinylbenzene; 4-vinylguaiacol; 7786-61-0; FEMA No. 2675; EINECS 232-101-2; p-Vinyl guaiacol; Phenol, 4-ethenyl-2-methoxy-; W267511_ALDRICH; p-Vinylguaiacol; CPD-1072; ZINC01849800; 4-ethenyl-2-methoxy-phenol; 3-06-00-04981 (Beilstein Handbook Reference); 2-METHOXY-4-VINYL-PHENOL; BRN 2044521; LS-2530; 4-Hydroxy-3-methoxystyrene; 31853-85-7; Phenol, 2-methoxy-4-vinyl-; Vinylcatechol-O-methyl ether, P-; 2-Methoxy-4-vinylphenol; CCRIS 548; Guaiacol, 4-vinyl-; 4-ETHENYL-2-METHOXYPHENOL | C9H10O2 | 150.17 | COC1=C(C=CC(=C1)C=C)O |
| TCMBANKIN061906 | 1-o-galloyl-glucose | C13H16O10 | 332.26 g/mol | COC1C(C(C(C(O1)OC(=O)C2=CC(=C(C(=C2)O)O)O)O)O)O | |
| TCMBANKIN061934 | neoglucobrassicin | Neoglucobrassicin; 1-(Oxylatosulfonyloxyimino)-2-(1-methoxy 1H-indole-3-yl)ethyl 1-thio-beta-D-glucopyranoside; CHEBI:64965; neoglucobrassicin(1-); 1-S-[2-(1-methoxy-1H-indol-3-yl)-N-(sulfonatooxy)ethanimidoyl]-1-thio-beta-D-glucopyranose; neoglucobrassicin anion; beta-D-Glucopyranose, 1-thio-, 1-(1-methoxy-N-(sulfooxy)-1H-indole-3-ethanimidate); [[2-(1-methoxyindol-3-yl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]sulfanyl-ethylidene]amino] hydrogen sulfate; [[2-(1-methoxyindol-3-yl)-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]thio]ethylidene]amino] hydrogen sulfate; [[2-(1-methoxyindol-3-yl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl-ethylidene]amino] hydrogen sulfate; [[2-(1-methoxy-3-indolyl)-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]thio]ethylidene]amino] hydrogen sulfate; [[2-(1-methoxyindol-3-yl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylethylidene]amino] hydrogen sulfate | C17H22N2O10S2 | 478.5 g/mol | CON1C=C(C2=CC=CC=C21)CC(=NOS(=O)(=O)O)SC3C(C(C(C(O3)CO)O)O)O |
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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