Plant Summary
Plant Information
TCMBank_ID: | TCMBANKHE005724 |
ID: | TCMBANKHE005724 |
植物拉丁名: |
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功能与主治: | To quench fire in the lung, to relieve dyspnea, and to cause diuresis./Phlegm-drool and congesting lung, cough and asthma with abundant phlegm, distention fullness in chest and rib-side, edema in chest and abdomen, inhibited urination. |
药用植物名: | 葶苈子 |
药用部位: | seed |
药味: | Extreme Cold; Pungent; Bitter |
经络: | Lung; Bladder |
临床特征: | 1. Its alcoholic extract acts as cardioglycosides, I.e., enhances myocardial contractility, slows heart rate and decreases the conduction rate in experimental animals. 2. Diurectic. |
治疗类型: | 止咳平喘药 |
TCM_ID_id: | 4221 |
SymMap_id: | 402 |
TCMSP_id: | 703 |
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 |
|---|
| TCMBANKIN000094 | choline | Choline chloride; choline hydroxide | C5H14NO+ | 104.17 g/mol | C[N+](C)(C)CCO |
| TCMBANKIN000557 | 10-hexadecenoic acid | LMFA01030260; (E)-hexadec-10-enoic acid | C16H30O2 | 254.41 g/mol | CCCCCC=CCCCCCCCCC(=O)O |
| TCMBANKIN004124 | Dihomolinolenic acid | LMFA01030378; Homo-alpha-linolenic acid; NCGC00161349-02; ETrE(11Z, 14Z, 17Z); 11,14,17-Eicosatrienoic acid, (Z,Z,Z)-; IDI1_033800; 11,14,17-Eicosatrienoic acid, (Z,Z,Z)- (8CI); NCGC00161349-01; 11,14,17-eicosatrienoic acid, (11Z,14Z,17Z)-; (11Z,14Z,17Z)-icosa-11,14,17-trienoic acid; (all-cis)-Delta11,14,17-Eicosatrienoic acid; BCBcMAP01_000183; 11,14,17-Eicosatrienoic acid, (11Z,14Z,17Z)- (9CI); (all-cis)-11,14,17-Eicosatrienoic acid; Bishomo-alpha-linolenic acid; 11-cis,14-cis,17-cis-Eicosatrienoic acid; (Z,Z,Z)-11,14,17-Eicosatrienoic acid; 17046-59-2; BSPBio_001330; cis,cis,cis-11,14,17-Eicosatrienoic acid; 11Z,14Z,17Z-eicosatrienoic acid | C20H34O2 | 306.48 | CCC=CCC=CCC=CCCCCCCCCCC(=O)O |
| TCMBANKIN007028 | evomonoside | C29H44O8 | 520.65 | CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)C)O)O)O | |
| TCMBANKIN012226 | K-STROPHANTHOSIDE | k-strophanthoside | C42H64O19 | 872.95 | CC1C(C(CC(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3(C2)O)O)C6=CC(=O)OC6)C)C=O)OC)OC7C(C(C(C(O7)COC8C(C(C(C(O8)CO)O)O)O)O)O)O |
| TCMBANKIN012293 | Allylnitrile | 2-Butenol-1; EINECS 203-701-1; NSC2583; InChI=1/C4H5N/c1-2-3-4-5/h2H,1,3H; 3-Cyano-1-propene; Vinylacetonitrile; NSC 2583; 3-Butenenitrile; beta-Butenonitrile; but-3-enenitrile; 3-Butenonitrile; Allylkyanid [Czech]; TL 350; ALLYL CYANIDE; Propene-3-nitrile; 3-Butenylnitrile; 1-Butene-4-nitrile; WLN: NC2U1; Acetonitrile, vinyl-; ZINC01641012; 109-75-1; 3-Cyanopropene; .beta.-Butenonitrile; 122793_ALDRICH; AI3-18438 | C4H5N | 67.09 | C=CCC#N |
| TCMBANKIN012916 | ST5407144 | Maybridge1_005010 | C10H12O4 | 196.2 | CCOC1=C(C=CC(=C1)C(=O)O)OC |
| TCMBANKIN014541 | Butenylisothiocyanate | Butenyl isothiocyanate; Isothiocyanic acid, 3-butenyl ester; (E)-1-isothiocyanatobut-1-ene; [(E)-but-1-enyl]imino-thioxo-methane; 34424-44-7; Butenylisothiocyanat [German]; Isothiocyanic acid, butenyl ester | C5H7NS | 113.18 g/mol | C=CCCN=C=S |
| TCMBANKIN015146 | Crotonitrile | AI3-28717; (E)-CH3CH=CHCN; (E)-2-Butenenitrile; (E)-but-2-enenitrile; ZINC01645020; Crotonic nitrile; 4786-20-3; 1-Cyanopropene; (2E)-but-2-enenitrile; Crotonnitrile; InChI=1/C4H5N/c1-2-3-4-5/h2-3H,1H3/b3-2; 2-butenenitrile, (2E)-; EINECS 225-335-1; Crotononitrile, mixture of cis and trans; 252522_ALDRICH; 1-Propenyl cyanide; 2-Butenenitrile; 2-Butenenitrile, mixture of cis and trans; beta-Methylacrylonitrile; 627-26-9; NSC 165574; Crotonique nitrile [French]; CROTONONITRILE; but-2-enenitrile | C4H5N | 67.09 | CC=CC#N |
| TCMBANKIN015369 | Erucic acid ethyl ester | 37910-77-3; (Z)-docos-13-enoic acid ethyl ester; Ethyl (Z)-docos-13-enoate; Ethyl 13-docosenoate(ethyl erucate); EINECS 253-712-0 | C24H46O2 | 366.62 | CCCCCCCCC=CCCCCCCCCCCCC(=O)OCC |
| TCMBANKIN015766 | WLN: SH1R | EINECS 202-862-5; alpha-Toluolthiol; .alpha.-Toluenethiol; 543934_ALDRICH; c0895; HSDB 2105; Thiobenzyl alcohol; 16528-58-8; FEMA No. 2147; Benzenemethanethiol; W214701_ALDRICH; InChI=1/C7H8S/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H; 4-06-00-02632 (Beilstein Handbook Reference); ZINC03873647; 13540_FLUKA; Phenylmethanethiol; NSC 41897; 63767_FLUKA; Benzylthiol; alpha-Tolyl mercaptan; .alpha.-Toluolthiol; 589985_ALDRICH; USAF ex-1509; (Mercaptomethyl)polystyrene; Methanethiol, phenyl-; NSC41897; BRN 0605864; Thiol, polymer-bound; Benzylhydrosulfide; (Mercaptomethyl)benzene; .alpha.-Tolyl mercaptan; NSC229567; 100-53-8; Usaf ek-1509; B25401_ALDRICH; Benzyl hydrosulfide; alpha-Toluenethiol; Phenylmethyl mercaptan; Toluene, alpha-mercapto-; AI3-22955; Mercaptomethyl, polymer-bound; .alpha.-Mercaptotoluene; BENZYL MERCAPTAN; alpha-Mercaptotoluene; Toluene-alpha-thiol | C7H8S | 124.21 g/mol | C1=CC=C(C=C1)CS |
| TCMBANKIN019889 | Myronate | beta-D-Glucopyranose, 1-thio-, 1-(N-(sulfooxy)-3-butenimidate); [1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylbut-3-enylideneamino] hydrogen sulfate; [1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]thio]but-3-enylideneamino] hydrogen sulfate; [1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]thio]but-3-enylideneamino] hydrogen sulfate; [1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]sulfanylbut-3-enylideneamino] hydrogen sulfate | C16H12O6 | 300.26 | C=CCC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O |
| TCMBANKIN020223 | (E)-tricos-11-enoic acid | 352.67 | |||
| TCMBANKIN022168 | 11,14-eicosadienoic acid | (11E,14E)-icosa-11,14-dienoic acid; KBioGR_000046; Bio2_000046; 2091-39-6; 11, 14-icosadienoic acid; Bio1_000755; KBio2_002614; KBio3_000091; Bio1_001244; Eicosa-11,14-dienoic acid; KBio3_000092; LMFA01030130; KBioSS_000046; icosa-11,14-dienoic acid; KBio2_000046; Bio1_000266; E3127_SIGMA; Bio2_000526; 11,14-trans-Eicosadienoic acid; CBiol_001980; KBio2_005182 | C20H36O2 | 308.5 g/mol | CCCCCC=CCC=CCCCCCCCCCC(=O)O |
| TCMBANKIN024320 | helveticoside | (3S,5S,8R,9S,10S,13R,14S,17R)-3-[(2R,4S,5S,6R)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde; erysimin; HMS1570A13; (3S,5S,8R,9S,10S,13R,14S,17R)-3-[[(2R,4S,5S,6R)-4,5-dihydroxy-6-methyl-2-tetrahydropyranyl]oxy]-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carboxaldehyde; AC1O8PXE; Strophanthidin 3-O-beta-D-digitoxoside; (3S,5S,8R,9S,10S,13R,14S,17R)-3-[(2R,4S,5S,6R)-4,5-dihydroxy-6-methyl-oxan-2-yl]oxy-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde; Helveticoside; Prestwick0_000646; Prestwick1_000646; (5S,8R,9S,10S,13R,14R,17R)-3-[(2R,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde; STOCK1N-57086; C08869; (3S,5S,8R,9S,10S,13R,14S,17R)-3-[(2R,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde; SPBio_002572; (3S,5S,8R,9S,10S,13R,14S,17R)-3-[(2R,4S,5S,6R)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-5,14-dihydroxy-17-(5-keto-2H-furan-3-yl)-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde; 630-64-8; Prestwick2_000646 | C29H42O9 | 534.64 | CC1C(C(CC(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3(C2)O)O)C6=CC(=O)OC6)C)C=O)O)O |
| TCMBANKIN024859 | evobioside_qt | C35H54O13 | 682.8 | ||
| TCMBANKIN025392 | silicon* | ||||
| TCMBANKIN028418 | erysimoside | C35H52O14 | 696.78 | CC1C(C(CC(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3(C2)O)O)C6=CC(=O)OC6)C)C=O)O)OC7C(C(C(C(O7)CO)O)O)O | |
| TCMBANKIN030322 | biotin | C10H16N2O3S | 244.31 g/mol | C1C2C(C(S1)CCCCC(=O)O)NC(=O)N2 | |
| TCMBANKIN031034 | methyl (Z)-icos-11-enoate | (Z)-icos-11-enoic acid methyl ester; 11-Eicosenoic acid, methyl ester, (Z)-; E6885_SIGMA; 17263_FLUKA; Methyl cis-11-eicosenoate; cis-11-Eicosenoic acid, methyl ester; cis-11-Eicosenoic acid methyl ester | C21H40O2 | 324.5 g/mol | CCCCCCCCC=CCCCCCCCCCC(=O)OC |
| TCMBANKIN031218 | Dimethyl undecanedioate | ST5410325; 94042_FLUKA; 4567-98-0; NSC152029; undecanedioic acid dimethyl ester; Undecanedioic acid, dimethyl ester; EINECS 224-943-4 | C13H24O4 | 244.33 | COC(=O)CCCCCCCCCC(=O)OC |
| TCMBANKIN031439 | STOCK1N-70051 | (3S,5S,8R,9S,10S,13R,14S,17S)-3,5,14-trihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carboxaldehyde; (3S,5S,8R,9S,10S,13R,14S,17S)-3,5,14-trihydroxy-17-(5-keto-2H-furan-3-yl)-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde; (3S,5S,8R,9S,10S,13R,14S,17S)-3,5,14-trihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde | C29H42O9 | 534.64 | |
| TCMBANKIN032162 | ergotamine | C33H35N5O5 | 581.7 g/mol | CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CN(C6CC7=CNC8=CC=CC(=C78)C6=C5)C | |
| TCMBANKIN033902 | evobioside | C35H54O13 | 682.8 | CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)C)O)O)OC7C(C(C(C(O7)CO)O)O)O | |
| TCMBANKIN036360 | K-STROPHANTHOSIDE_qt | C42H64O19 | 872.95 | ||
| TCMBANKIN036363 | alpha-hydroxytetrasocsanoic acid | ||||
| 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] |
| TCMBANKIN039284 | Polyporusterone E | polyporusterone e | 460.65 | ||
| TCMBANKIN040495 | polyporusterone A | CHEMBL404770; Polyporusterone A | C28H46O6 | 479 | [C@@]1([H])(O[H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])C([H])([H])[C@@]([C@@]([H])([C@@]([C@]([H])(O[H])C([H])([H])[C@@]([H])(C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])(C([H] )([H])[H])O[H])C([H])([H])C2([H])[H])(C([H])([H])[H])[C@@]23O[H])C3=C([H])C4=O)[C@@]4([H])C([H])([H])[C@@]1([H])O[H] |
| TCMBANKIN041272 | stearic acid | 4-02-00-01206 (Beilstein Handbook Reference); AIDS-049230; Emersol 871; 8039-52-9; 126539-56-8; stearic acid, ion(1-); D00119; octadecoic acid; Hydrofol Acid 150 (VAN); 134503-33-6; Fatty acids C16-18; 68937-76-8; Kam 2000; VLZ 200; Lunac S 98; Glycon S-80; Hy-phi 1205; Lunac YA; Pristerene 9429; Pristerene 4900; Octadecanoic acid (9CI); Hystrene 9718NF; Edenor FHTI; Cetylacetic acid; NAA 173; NSC 25956; Lunac S 90; S 30C S 30C (fatty acid); Neo-Fat 18-61; Dar-chem 14; NSC25956; Edenor HT-JG 60; Octadecanoate; 57485-56-0; Oktadekansaeure; S 300 (fatty acid); Unister NAA 180; Industrene 5016; Prisorine 3508; Hydrofol Acid 150; Hystrene 4516; G 270; Stearic Acid Cherry; Century 1230; 822-16-2 (SODIUM SALT); NCGC00091596-02; Glycon S-90; 85404-83-7; NCGC00091596-01; Stearic acid (JP15/NF); Hystrene 5016; Hy-phi 1303; Glycon S-70; C01530; Octadecansaeure; Neo-Fat 18-55; WO 2 (fatty acid); Pristerene 9559; SA 200; Century 1240; Stearic acid, pure; Sunfat 18S; WO 2; CHEBI:28842; Industrene 5016K; LS-2392; Kam 3000; BRN 0608585; Edenor ST 20; AIDS049230; Lunac 30; EINECS 273-087-8; Emersol 150; 175366_SIAL; 8039-54-1; Fatty acids, C16-20; stearicacid; Stearic acid ion(1-)salt; Stearic acid (8CI); Stearinsaeure; Emersol 153NF; Hydrofol acid 1855; 57-11-4; Lunac S 30; Hystrene T 70; Prisorine 3501; Haimaric MKH(R); Stearex Beads; Groco 55; Hystrene S-97; Neo-Fat 18-54; W303518_ALDRICH; Hydrofol acid 1655; Nonsoul SN 1 (*Sodium salt*); EINECS 200-313-4; 39390-61-9; Emersol 120; EPA Pesticide Chemical Code 079082; Lunac S 20; Octadecanoic acid, ion(1-); 8013-28-3; AI3-00909; Kortacid 1895; FEMA No. 3035; Hystrene S 97; 82497-27-6; Tegostearic 254; SNA-2000 (*Sodium salt*); 1-Heptadecanecarboxylic acid; AC1MHWEJ; STL280244; 27405_RIEDEL; Steric acid; Industrene 9018; Glycon dp; F 3 (lubricant); Hy-phi 1401; Lunac S 50; Emersol 132; Stearic acid, ion(1-) (8CI); CH3-[CH2]16-COO(-); acide octadecanoique; Groco 55l; 73297_FLUKA; Serfax MT 90; Stearic acid [USAN:JAN]; 8039-51-8; acide stearique; Kam 1000; Acidum stearinicul; InChI=1/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20; 8039-53-0; 17FA; Stearophanic acid; 8037-83-0; Hystrene 7018; FA 1655; Prisorine 3502; Nonsoul SK 1; Hydrofol Acid 1895; Lunac S 40; Stearic acid 50; 8023-06-1; 85679_FLUKA; HSDB 2000; n-Octadecanoate; 400JB9103-88; Glycon tp; Unimac 5680; Loxiol G 20; Stearate; 875D; Octadecanoic acid; Neo-Fat 18-53; octadecanoate (n-C18:0); Radiacid 0427; Emery 871; Vanicol; Vis-Plus; PD 185; EINECS 250-178-0; AKOS022105769; 646-29-7; Edenor ST 1; S 300; Caswell No. 801D; Selosol 920; Tegostearic 272; Isostearic acid EX; A 1760; WLN: QV17; Stearic acid (TN); Pearl stearic; 609343-71-7; Palmitic acid - stearic acid mixture; Emersol 875; Industrene 8718; Hystrene 9718NFFG; NCGC00164255-02; ST023799; LMFA01010018; Groco 54; Edenor C18; Hystrene T-70; Hy-phi 1199; CTK8J8420; n-Octadecanoic acid; Groco 58; Pristerene 4963; Formula 300; AFCO-Chem B 65; CCRIS 2305; Industrene R; Century 1220; S4751_SIGMA; Neo-Fat 18; 58392-66-8; Barolub FTA; Hystrene 9718; CH3-[CH2]16-COOH; STE; 8037-40-9; 30399-84-9; Lunac S 90KC; Hydrofol 1895; Emery 875D; Century 1210; QIQXTHQIDYTFRH-UHFFFAOYSA-M; Neo-Fat 18-59; LS-1388; Groco 59; Humko Industrene R; Hystrene 80; Adeka Fatty Acid SA 910; Stearic acid; Prifac 2918; Emersol 6349; Edenor C 18/98; 3uex; LS-97707; CHEBI:25629; Neo-Fat 18-S; Stearic acid - palmitic acid mixture; Tegostearic 255; C-Lube 10 | C18H36O2 | 284 | C([H])([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(O[H])= O |
| TCMBANKIN041519 | Polyporusterone D | polyporusterone d | 460.65 | ||
| TCMBANKIN045705 | polyporusterone G | polyporusterone g | C28H44O5 | 460.65 | CC(C)C(=C)CC(C(C)C1CCC2(C1(CCC3C2=CC(=O)C4C3(CC(C(C4)O)O)C)C)O)O |
| TCMBANKIN045773 | polyporusterone F | polyporusterone f | C28H46O5 | 462.66 | CC(C)C(C)CC(C(C)C1CCC2(C1(CCC3C2=CC(=O)C4C3(CC(C(C4)O)O)C)C)O)O |
| TCMBANKIN047553 | Sinapinic acid | 4-Hydroxy-3,5-dimethoxycinnamic acid; NSC 59261; (Z)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acid; (Z)-3-(4-hydroxy-3,5-dimethoxy-phenyl)prop-2-enoic acid; (Z)-3-(4-hydroxy-3,5-dimethoxy-phenyl)acrylic acid; EINECS 208-487-3 | C11H12O5 | 224.21 | COC1=CC(=CC(=C1O)OC)C=CC(=O)O |
| TCMBANKIN058046 | allyl isothiocyanate | Redskin; DTXSID3020047; Fats and Glyceridic oils, mustard; 3ZT10W4376; (T)ALLYL ISOTHIOCYANATE; Allyl isothiocyanate, PESTANAL(R), analytical standard, stabilized; Artificial oil of mustard; NSC 5572; Allyspol 75EC; Tox21_111165; ol eum sinapis volatile; Allylsenfoel; BBL027483; Allyl sevenolum; Senf oel; Tox21_202249; Mustard, brown (Brassica spp.); EINECS 232-358-0; EPA Pesticide Chemical Code 004901; DSSTox_CID_47; Allyl isothiocyanate, contains BHT as stabilizer, 95%; Oleum sinapis; 1058737-73-7; WLN: SCN2U1; Mustard oil, volatile; Mustard oil (VAN); AC1L1LIX; Isothiocyanic acid allyl ester; Essential oils, mustard; BN34FX42G3; Oil Of mustard; Allyl isothiocyanate, stabilized; Allyl isosulphocyanate; Mustardseed Oil; Tox21_302890; BP-12926; MFCD00004822; HMS3264D06; D02818; NSC760137; CHEMBL233248; FEMA No. 2034; 8007-40-7; Allyl isothiocyanate [USAN]; CTK1G9557; ZINC1687017; 50978-48-8; allylisothiocyanate; Brassica seed oil; 1957/6/7; Oil of mustard, expressed; ST51046777; CCG-213613; SBB060631; Allylisothiokyanat [Czech]; CCRIS 20; NCGC00091743-01; NCGC00256536-01; Allylsevenolum; Oils, brassica nigra; Allyl thioisocyanate; DSSTox_RID_75336; 3-isothiocyanatopropene; BDBM50203072; RL04154; NCGC00091743-02; 2-Propenyl isothiocyanate; UNII-BN34FX42G3; Caswell No. 027; Allyl mustard oil; CHEBI:73224; Allyl isothiocyanate, 97%; Allyl isothiocyanate (USP); Allyl isothiocyanate [USAN:USP]; I0185; prop-2-enisothiocyanate; Oil of mustard, artificial; Allyl isothiocyanate, stabilized [UN1545] [Poison]; 107231-30-1; Allyl isothiocyanate, >=95%, FCC; ALLYL ISOTHIOCYANATE; 58391-87-0; Allylsenevol; BRN 0773748; Isothiocyanate d'allyle; TR-019960; NSC-760137; 3-isothiocyanatopropene, 2-propenyl isothiocyanate, mustard oil, allyl isorhodanide, allyl mustard oil, synthetic mustard oil, allylsenevol, redskin, volatile oil of mustard; Volatile mustard oil; Isothiocyanate d'allyle [French]; 5832AE; Oils, brassica alba; J-512735; allyl isothiocyanate; ATC; AITC; Allylisothiokyanat; DB-022435; Senf oel [German]; FEMA Number 2034; Mustard, yellow (Brassica spp.); Allyl isothiocyanate, non-perfume grade; GTPL2420; LS-1387; 3-isothiocyanatoprop-1-ene; FT-0622027; allyl isorhodanide; AC1Q2ABE; UN1545; Mustard essential oils; AITK; Allyl isothiocyanate non-perfume grade; Potassium, (1-isothiocyanato-2-propenyl)-; NCI-C50464; NSC5572; C19317; Allyl isothiocyanate, stabilized [UN1545] [Poison]; Oils, essential, mustard; Senfoel; Y-9048; Allyl isosulfocyanate; F9995-1653; FT-0622004; 3-iso-Thiocyanatoprop-1-ene; Oleum sinapis volatile; Allyl isothiocyanate (natural); LS-3207; 3-isothiocyanato-prop-1-ene; Potassium allyl isothiocyanate; UNII-3ZT10W4376; 3-Isothiocyanato-1-propene; Oils, glyceridic, mustard; EINECS 200-309-2; AITC; allyl thiocarbonimide; InChI=1/C4H5NS/c1-2-3-5-4-6/h2H,1,3H; Carbospol; BB_SC-6433; Propene, 3-isothiocyanato-; allyl-iso-thiocyanate; Mustard oil, volatile, synthetic; Mustard Oil (Synthetic); D0BQ8Y; ZOJBYZNEUISWFT-UHFFFAOYSA-N; Artificial mustard oil; Isothiocyanic acid, allyl ester; MUSTARD OIL; I09-0185; 1-Propene, 3-isothiocyanato-; Oil of mustard BPC 1949; Allyl isothiocyanate, purum, >=98% (GC); MolPort-001-769-093; CAS-57-06-7; AC1Q2A9Q; AN-23573; Mustard seed oil; Isothiocyansaeureallylester; FEMA No. 2761; AI3-15283; ISOTHIOCYANIC ACID,ALLYL ESTER; NSC-5572; KB-47208; NCGC00259798-01; FEMA No. 2760; MCULE-3404572895; AB01563144_01; Allylsenfoel [German]; 50888-64-7; ALLYLISOTHIOCYANATE; Allyspol; Oils, mustard; Allyl isothiocyanate, inhibited; Pharmakon1600-01506103; Isothiocyanato-1-propene; Synthetic mustard oil; HSDB 617; Propenyl isothiocyanate; AKOS000119301; DSSTox_GSID_20047; Volatile oil of mustard; mustard oil; Redskin; DTXSID3020047; Fats and Glyceridic oils, mustard; 3ZT10W4376; (T)ALLYL ISOTHIOCYANATE; Allyl isothiocyanate, PESTANAL(R), analytical standard, stabilized; Artificial oil of mustard; NSC 5572; Allyspol 75EC; Tox21_111165; ol eum sinapis volatile; Allylsenfoel; BBL027483; Oil of mustard; Allyl sevenolum; Senf oel; Tox21_202249; Mustard, brown (Brassica spp.); EINECS 232-358-0; EPA Pesticide Chemical Code 004901; DSSTox_CID_47; Allyl isothiocyanate, contains BHT as stabilizer, 95%; Oleum sinapis; 1058737-73-7; WLN: SCN2U1; Mustard oil, volatile; Mustard oil (VAN); AC1L1LIX; Isothiocyanic acid allyl ester; Essential oils, mustard; BN34FX42G3; Oil Of mustard; Allyl isothiocyanate, stabilized; Allyl isosulphocyanate; Mustardseed Oil; Tox21_302890; BP-12926; MFCD00004822; HMS3264D06; D02818; NSC760137; CHEMBL233248; FEMA No. 2034; 8007-40-7; Allyl isothiocyanate [USAN]; CTK1G9557; ZINC1687017; 50978-48-8; Brassica seed oil; 1957/6/7; Oil of mustard, expressed; ST51046777; CCG-213613; SBB060631; Allylisothiokyanat [Czech]; CCRIS 20; NCGC00091743-01; NCGC00256536-01; Allylsevenolum; Oils, brassica nigra; Allyl thioisocyanate; DSSTox_RID_75336; 3-isothiocyanatopropene; BDBM50203072; RL04154; NCGC00091743-02; 2-Propenyl isothiocyanate; UNII-BN34FX42G3; Caswell No. 027; Allyl mustard oil; CHEBI:73224; Allyl isothiocyanate, 97%; ZINC01687017; Allyl isothiocyanate (USP); Allyl isothiocyanate [USAN:USP]; I0185; prop-2-enisothiocyanate; Oil of mustard, artificial; Allyl isothiocyanate, stabilized [UN1545] [Poison]; 107231-30-1; Allyl isothiocyanate, >=95%, FCC; ALLYL ISOTHIOCYANATE; 58391-87-0; Allylsenevol; BRN 0773748; Isothiocyanate d'allyle; TR-019960; NSC-760137; 3-isothiocyanatopropene, 2-propenyl isothiocyanate, mustard oil, allyl isorhodanide, allyl mustard oil, synthetic mustard oil, allylsenevol, redskin, volatile oil of mustard; Volatile mustard oil; Isothiocyanate d'allyle [French]; 5832AE; Oils, brassica alba; J-512735; Allylisothiokyanat; DB-022435; Senf oel [German]; FEMA Number 2034; Mustard, yellow (Brassica spp.); Allyl isothiocyanate, non-perfume grade; GTPL2420; LS-1387; 3-isothiocyanatoprop-1-ene; FT-0622027; Mustard oil; allyl isorhodanide; AC1Q2ABE; UN1545; Mustard essential oils; AITK; Allyl isothiocyanate non-perfume grade; Potassium, (1-isothiocyanato-2-propenyl)-; NCI-C50464; NSC5572; C19317; Allyl isothiocyanate, stabilized [UN1545] [Poison]; Oils, essential, mustard; Senfoel; Y-9048; Allyl isosulfocyanate; F9995-1653; FT-0622004; 3-iso-Thiocyanatoprop-1-ene; Oleum sinapis volatile; 377430_ALDRICH; Allyl isothiocyanate (natural); LS-3207; 3-isothiocyanato-prop-1-ene; Potassium allyl isothiocyanate; UNII-3ZT10W4376; 3-Isothiocyanato-1-propene; Oils, glyceridic, mustard; EINECS 200-309-2; AITC; allyl thiocarbonimide; InChI=1/C4H5NS/c1-2-3-5-4-6/h2H,1,3H; Carbospol; BB_SC-6433; Propene, 3-isothiocyanato-; 4-04-00-01081 (Beilstein Handbook Reference); allyl-iso-thiocyanate; Mustard oil, volatile, synthetic; Mustard Oil (Synthetic); D0BQ8Y; ZOJBYZNEUISWFT-UHFFFAOYSA-N; Artificial mustard oil; Isothiocyanic acid, allyl ester; MUSTARD OIL; I09-0185; 1-Propene, 3-isothiocyanato-; Oil of mustard BPC 1949; Allyl isothiocyanate, purum, >=98% (GC); W203408_ALDRICH; MolPort-001-769-093; CAS-57-06-7; AC1Q2A9Q; AN-23573; Mustard seed oil; Isothiocyansaeureallylester; FEMA No. 2761; AI3-15283; ISOTHIOCYANIC ACID,ALLYL ESTER; NSC-5572; KB-47208; NCGC00259798-01; FEMA No. 2760; MCULE-3404572895; 06019_FLUKA; AB01563144_01; Allylsenfoel [German]; 50888-64-7; ALLYLISOTHIOCYANATE; Allyspol; Oils, mustard; Allyl isothiocyanate, inhibited; Pharmakon1600-01506103; 57-06-7; Isothiocyanato-1-propene; Synthetic mustard oil; HSDB 617; 36682_RIEDEL; Propenyl isothiocyanate; AKOS000119301; DSSTox_GSID_20047; allylimino-thioxo-methane; Volatile oil of mustard | C4H5NS | 99.16 g/mol | C=CCN=C=S |
| TCMBANKIN058094 | 5-HMF | 5-(Hydroxymethyl)-2-furancarboxaldehyde; 5-18-01-00130 (Beilstein Handbook Reference); 2-Furancarboxaldehyde, 5-(hydroxymethyl)-; 2-Hydroxymethyl-5-furfural; BRN 0110889; 5-(Hydroxymethyl)-2-furancarbonal; CCRIS 3160; CBiol_000485; 67-47-0; NSC40738; SBB004259; 2-Furaldehyde, 5-(hydroxymethyl)-; 5-(Hydroxymethyl)-2-furaldehyde; 5-(hydroxymethyl)furan-2-carbaldehyde; Hydroxymethylfurfurole; 5-Hydroxymethylfurfural; 5-Hydroxymethylfuraldehyde; C11101; 5-(Hydroxymethyl)furfural; 5-Oxymethylfurfurole; InChI=1/C6H6O3/c7-3-5-1-2-6(4-8)9-5/h1-3,8H,4H; EINECS 200-654-9; W501808_ALDRICH; Hydroxymethylfurfuralaldehyde; 5-(Hydroxymethyl)-2-furfuraldehyde; ICCB3_000133; H40807_ALDRICH; Hydroxymethylfurfural; 5-Hydroxymethyl-2-furancarboxaldehyde; NCGC00091513-01; 55690_FLUKA; 5-Hydroxymethyl furaldehyde; 5-(Hyddroxymethyl)furfurole; 5-Hydroxymethyl-2-furaldehyde; 5-(Hydroxymethyl)-2-furfural; NSC 40738; 76330-16-0; Hydroxymethylfurfuraldehyde; 5-Hydroxymethyl-2-formylfuran; ZINC00900788; 5-Hydroxymethylfuran-2-aldehyde; 5-methylolfurfural; 5-hydroxymethylfuraldehyde; 5-hydroxymethyl furfural; 5-hydroxy methyl furfural; 5-hydroxymethylfurfural; 2-Furancarboxaldehyde,5-(hydroxymethyl); 5-hydroxymethyl furaldehyde; 5-hydroxymethyl-2-furfural; 5-(hydroxymethyl)-2-furfural; 5- hydroxymethylfurfural; 2-Furancarboxaldehyde , 5-(hydroxymethyl) | C6H6O3 | 126.11 g/mol | C1=C(OC(=C1)C=O)CO |
| TCMBANKIN058188 | PHB | NSC4961; AE-848/32195059; AIDS-018038; AI3-01003; 4-Hydroxybenzoic acid; Benzoic acid, p-hydroxy-; ST5210584; 54630_FLUKA; C00156; 4-HBA; InChI=1/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10; Acido p-idrossibenzoico [Italian]; HSDB 7233; 99-96-7; p-Salicylic acid; p-Oxybenzoesaure [German]; HYDROXYBENZOIC ACID, PARA; NSC 4961; Benzoic acid, p-hydroxy; EINECS 202-804-9; CHEBI:30763; p-Hydroxybenzoic acid; H20059_ALDRICH; 240141_ALDRICH; NCGC00166040-01; Kyselina 4-hydroxybenzoova [Czech]; 4-Carboxyphenol; Benzoic acid, 4-hydroxy; W398608_ALDRICH; 4-Hydroxybenzoesaeure; Benzoic acid, 4-hydroxy-; AIDS018038; WLN: QVR DQ; 4-hydroxybenzoic; 4-hydroxy benzoic acid | C7H6O3 | 138.12 g/mol | C1=CC(=CC=C1C(=O)O)O |
| TCMBANKIN058212 | 4-hydroxybenzaldehyde;HBA | 4-hydroxybenzal-dehyde; 4-hydroxy-benzaldehyde;54590_FLUKA; p-Oxybenzaldehyde; ST5213381; 123-08-0; p-Hydroxybenzaldehyde; FR-0985; 65581-83-1; AIDS-017917; InChI=1/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9; 4-HYDROXY-BENZALDEHYDE; ZINC00156709; BRN 0471352; Benzaldehyde, 4-hydroxy-, homopolymer; 4-08-00-00251 (Beilstein Handbook Reference); CHEBI:17597; NSC 2127; 4-Formylphenol; Benzaldehyde, p-hydroxy-; Usaf m-6; AIDS017917; 4-HYDROXYBENZALDEHYDE; 54589_FLUKA; AI3-15366; Benzaldehyde, 4-hydroxy-; Parahydroxybenzaldehyde; C00633; AB-131/40191192; p-Formylphenol; c0285; NSC2127; WLN: VHR DQ; W398403_ALDRICH; 4-Hydroxybenzaldehyde, homopolymer; EINECS 204-599-1; 144088_ALDRICH | C7H6O2 | 122.12 | C1=CC(=CC=C1C=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 |
| TCMBANKIN058238 | sinalbine | sinalbin ; 4-hydroxybenzyl-Glucosinolate | C14H19NO10S2 | 425.4 g/mol | C1=CC(=CC=C1CC(=NOS(=O)(=O)O)SC2C(C(C(C(O2)CO)O)O)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 |
| TCMBANKIN058328 | benzyl cyanide;WLN: NC1R; | benzylcyanide; Acetic acid, phenyl-nitrile; CAS-140-29-4; ST51017243; NSC118418; Benzylkyanid [Czech]; Toluene, .alpha.-cyano-; .alpha.-Cyanotoluene; 140-29-4; AI3-04975; BnCN; ACMC-1C0PN; DTXSID2021492; .alpha.-Tolunitrile; KSC175C3P; AKOS000118943; alpha-Cyanotoluene; MCULE-3500109780; UN 2470; phenylacetonitile; benzene-acetonitrile; Phenylacetonitrile, liquid [UN2470] [Poison]; Toluene, alpha -cyano-; CTK0H5137; Z57131036; Benzeneacetonitrile; AN-23174; EC 205-410-5; C8H7N; P0128; CHEMBL3560735; Phenyl acetyl nitrile; 2-phenylethanenitrile; Tox21_200217; 2-phenyl-acetonitrile; AS01366; UNII-23G40PRP93; EINECS 205-410-5; alpha -cyano-; Benzylkyanid; LABOTEST-BB LT00891699; WLN: NC1R; KB-47802; NSC 118418; NCGC00090854-01; Benzyl cyanide, 98%; UN2470; 23G40PRP93; DEA Code 8735; NCGC00257771-01; Toluene, alpha-cyano-; PubChem20468; 56620-16-7; benzene acetonitrile; .omega.-Cyanotoluene; DSSTox_CID_1492; BENZYL CYANIDE; LS-817; AC1L1RPP; OTAVA-BB 1519434; Phenylacetonitrile, liquid [UN2470] [Poison]; Acetonitrile, phenyl-; 2-Phenylacetonitrile; HSDB 2103; alpha -tolunitrile; DB-004016; KS-000000HS; Benzylnitrile; benzyl-cyanide; J-519675; Phenylacetonitrile, liquid; omega-Cyanotoluene; NSC3407; Phenylacetonitrile; Benzyl nitrile; C16074; phenylacteonitrile; AC1Q4S1D; USAF KF-21; A-TOLUNITRILE; SUSQOBVLVYHIEX-UHFFFAOYSA-N; Benzyl cyanide, >=99%; A807640; TRA0004632; SBB058386; RTC-061401; Phenacetonitrile; cyano(phenyl)methyl; CHEBI:25979; alpha-Cyano-Toluene; SC-26879; FT-0657342; Benzeneacetonitrile, 9CI; NSC-3407; S01-0547; ZINC1666748; Phenyl-acetonitrile; enzylcyanide; Benzyl cyanide, analytical standard; ANW-20559; DSSTox_RID_76184; alpha-phenylacetonitrile; CJ-26987; MFCD00001894; NSC-118418; laquo Omegaraquo -cyanotoluene; InChI=1/C8H7N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6H; Cyanophenylmethane; SCHEMBL37831; F0001-0481; CCRIS 4698; DSSTox_GSID_21492; alpha -cyanotoluene; NCGC00090854-02; alpha-Tolunitrile; RP19286; (Cyanomethyl)benzene; MolPort-001-768-890;Acetic acid, phenyl-nitrile; Benzeneacetonitrile; omega-cyanotoluene; Toluene, alpha-cyano-; Usaf kf-21; NSC118418; 185728_ALDRICH; Benzylkyanid [Czech]; CHEBI:25979; 13300_FLUKA; .omega.-Cyanotoluene; Phenyl acetyl nitrile; Toluene, .alpha.-cyano-; c0647; Phenyl-acetonitrile; .alpha.-Cyanotoluene; 140-29-4; AI3-04975; Acetonitrile, phenyl-; 2-Phenylacetonitrile; EINECS 205-410-5; HSDB 2103; .alpha.-Tolunitrile; B19401_ALDRICH; alpha-Cyanotoluene; Benzylnitrile; InChI=1/C8H7N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6H; Phenylacetonitrile, liquid; CCRIS 4698; Benzyl cyanide; NSC3407; Phenylacetonitrile; Benzyl nitrile; NSC 118418; Phenylacetonitrile, liquid [UN2470] [Poison]; alpha-Tolunitrile; ZINC01666748; C16074; NCGC00090854-01; UN2470; (Cyanomethyl)benzene;phenylacetonitrile;Benzyl nitrile | C8H7N | 117.15 g/mol | C1=CC=C(C=C1)CC#N |
| TCMBANKIN058334 | benzene acetaldehyde | benzeneacetaldehyde; HY1; c0210; alpha-Tolyaldehyde; 1-Oxo-2-phenylethane; 107395_ALDRICH; Acetaldehyde,phenyl- (8CI); ZINC00895323; Phenylacetic aldehyde; alpha-Tolualdehyde; NSC406309; alpha-Toluic aldehyde; 2-phenylacetaldehyde; NSC 406309; CHEBI:16424; FEMA No. 2974; 122-78-1; Phenylacetaldehyde solution; .alpha.-Tolualdehyde; W287407_ALDRICH; PHENYLACETALDEHYDE; W287415_ALDRICH; Benzylcarboxaldehyde; .alpha.-Toluic aldehyde; hyacinthin; Acetaldehyde,phenyl-; Phenylethanal; InChI=1/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H; NCIOpen2_003602; AI3-02175; 77800_FLUKA; Phenylacetaldehyde (natural); 2-Phenylethanal; Oxophenylethane; Benzeneacetaldehyde; EINECS 204-574-5; C00601; phenylacetaldehyde; Hyacinthin | C8H8O | 120.15 g/mol | C1=CC=C(C=C1)CC=O |
| TCMBANKIN058350 | WLN: SCN2R | 253731_ALDRICH; 2-isothiocyanatoethylbenzene; NCI60_041942; Phenethyl isothiocyanate; ZERO/008133; Phenylethyl mustard oil; Phenylaethylsenfoel; EINECS 218-855-5; 4-12-00-02476 (Beilstein Handbook Reference); Phenylaethylsenfoel [German]; BRN 2084162; NSC 87868; 77972_FLUKA; .beta.-Phenylethyl isothiocyanate; 2-Phenylethyl isothiocyanate; Benzene, (2-isothiocyanatoethyl)-; .beta.-Phenethyl isothiocyanate; (2-isothiocyanatoethyl)benzene; Isothiocyanic acid, phenethyl ester; W401404_ALDRICH; beta-Phenylethyl isothiocyanate; NSC87868; CCRIS 3146; Phenethyl mustard oil; 2257-09-2; Phenylethyl isothiocyanate; ZINC02022074;phenethyl isothiocyanate;β-phenylethyl isothiocyanate;PEITC;beta-phenylethyl isothiocyanate;PEITC;beta-phenylethyl isothiocyanate | C9H9NS | 163.24 g/mol | C1=CC=C(C=C1)CCN=C=S |
| TCMBANKIN058354 | Urogran | NSC 118976; CHEBI:17484; benzyl isothiocyanate; NCIMech_000859; CHEBI:17484; KBio1_001724; (isothiocyanatomethyl)-benzene; MFCD00004819; UNII-871J6YOR8Q; KBioGR_001358; I0224; LS-7216; Benzene, (isothiocyanatomethyl)-; TR-033289; Isothiocyanatomethyl)benzene; Benzyl mustard oil; NCGC00094982-03; Spectrum_001820; KSC250O3D; AC1Q7EX9; KS-00000V2U; FT-0622167; 622-78-6; KBio2_007457; NSC-118976; ZINC1529592; HMS1921P18; KBio2_004889; Spectrum2_000852; DSSTox_RID_75407; Isothiocyanic Acid Benzyl Ester; CTK1F0731; NSC-758206; AB 2 (VAN); SCHEMBL44145; DB-022613; F0001-1663; DSSTox_CID_155; CCG-35868; Urogran; Pharmakon1600-01503006; KS-00001PQO; SPECTRUM1503006; Isothiocyanotaomethylbenzene; Benzene, isothiocyanatomethyl-; Spectrum5_001837; isothiocyanatomethyl-benzene; CJ-23924; Benzyl-isothiocyanate; DTXSID0020155; AB 2; phenylmethyl isothiocyanate; BRN 0386135; isothiocyanato-methyl-benzene; OTAVA-BB 1055640; AS04379; Benzylsenfoel [German]; AC1L1DH3; NSC118976; SBB002731; Tromalyt; alpha-Isothiocyanato-Toluene; WLN: SCN1R; Tromacaps; (Isothiocyanatomethyl)benzene; DSSTox_GSID_20155; ST50214559; 871J6YOR8Q; 1-(isothiocyanatomethyl)benzene; NSC758206; (Isothiocyanatomethyl)benzene, 9CI; Benzyl isothio cyanate; QTL1_000013; SBI-0052749.P002; CCRIS 3145; MCULE-5989558191; Toluene, alpha -isothiocyanato-; STK399787; 58019-05-9; NCIMech_000859; Isothiocyanic acid, benzyl ester; SDCCGMLS-0066697.P001; Spectrum4_001059; BITC, 17; TIMTEC-BB SBB002731; benzyl isothio cyanate; SR-05000002381; NCGC00094982-01; (Isothiocyanatomethyl)benzene #; a-isothiocyanatotoluene; CHEMBL55285; AI3-02736; EINECS 210-753-9; NCI60_000455; Benzyl isothiocyanate, 98%, FG; Tromocaps; AKOS000212138; NCGC00258743-01; Tromalyt active substance; KB-75435; PMITC cpd; ANW-34134; J-650076; MolPort-000-147-097; NCGC00094982-04; DivK1c_006780; alpha-isothiocyanatotoluene; Benzylisothiocyanate; RTR-033289; benzylisothiocyanate; NSC 118976; TL8004089; KBio2_002321; ZERO/008132; AC1Q7EYE; BBL013129; AKOS BBS-00004442; Spectrum3_000793; BDBM50240520; CAS-622-78-6; C03098; SPBio_000863; ACMC-209n1k; BB_SC-6549; KBio3_001746; I09-2433; BSPBio_002526; SR-05000002381-2; PubChem14549; isothiocyanatomethylbenzene; SpecPlus_000684; SC-13625; Benzyl isothiocyanate, analytical standard; Benzylsenfoel; Toluene, alpha-isothiocyanato-; Benzylsenfoel (german); AKOS JY2090023; LS11773; 4-12-00-02276 (Beilstein Handbook Reference); SR-05000002381-1; phenylmethanisothiocyanate; Toluene, .alpha.-isothiocyanato-; KBioSS_002323; Benzyl isothiocyanate, 98%; MDKCFLQDBWCQCV-UHFFFAOYSA-N; Tox21_201191; BITC; Benzyl isothiocyanate; NCGC00094982-02; AB00053249_03; FEMA 4428; BP-12924; KBio1_001724; KBio2_002321; (isothiocyanatomethyl)benzene; KBioGR_001358; Isothiocyanic acid, benzyl ester; ZERO/008132; Spectrum3_000793; Spectrum4_001059; SDCCGMLS-0066697.P001; C03098; SPECTRUM1503006; Benzene, (isothiocyanatomethyl)-; SPBio_000863; NCGC00094982-01; KBio3_001746; Spectrum5_001837; ZINC01529592; Benzyl mustard oil; Benzyl-isothiocyanate; AI3-02736; EINECS 210-753-9; BSPBio_002526; BRN 0386135; NCI60_000455; isothiocyanatomethylbenzene; SpecPlus_000684; Benzylsenfoel [German]; Spectrum_001820; NSC118976; Tromalyt; Toluene, alpha-isothiocyanato-; Benzylsenfoel; WLN: SCN1R; CCRIS 3145; Tromacaps; 4-12-00-02276 (Beilstein Handbook Reference); KBio2_007457; 622-78-6; Toluene, .alpha.-isothiocyanato-; KBioSS_002323; KBio2_004889; Spectrum2_000852; 252492_ALDRICH; Benzyl isothiocyanate; NCGC00094982-02; 13505_FLUKA; DivK1c_006780; AB 2 (VAN); Benzyl isothio cyanate; QTL1_000013; Benzylisothiocyanate; W510548_ALDRICH | C8H7NS | 149.21 g/mol | C1=CC=C(C=C1)CN=C=S |
| TCMBANKIN058360 | Tropeolin | Benzyl rhodanide; EINECS 221-144-2; Benzylrhodonid; Thiocyanic acid, phenylmethyl ester; WLN: NCS1R; 3012-37-1; Benzyl-thiocyanate; B32009_ALDRICH; STK331791; ZINC01529490; Solvat 14; AJ-087/40225997; alpha-Thiocyanatotoluene; NSC1729; Toluene, alpha-thiocyanato-; AI3-08887; NSC 130266; NSC130266; thiocyanatomethylbenzene; Toluene, .alpha.-thiocyanato-; InChI=1/C8H7NS/c9-7-10-6-8-4-2-1-3-5-8/h1-5H,6H; Benzyl thiocyanate; CCRIS 3085; CHEBI:16017; BRN 1859726; 13929_FLUKA; C02660; Benzylthiocyanate; NSC 1729; Thiocyanic acid, benzyl ester; 4-06-00-02680 (Beilstein Handbook Reference); .alpha.-Thiocyanatotoluene; phenylmethyl thiocyanate;benzyl thiocyanate;benzyl thiocyanate | C8H7NS | 149.21 g/mol | C1=CC=C(C=C1)CSC#N |
| 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 |
| TCMBANKIN059115 | polyporusterone b | 141360-89-6; Polyporusterone B; CHEMBL260669; polyporusterone,b | C28H44O6 | 476.6 g/mol | CC(C)C(=C)CC(C(C)(C1CCC2(C1(CCC3C2=CC(=O)C4C3(CC(C(C4)O)O)C)C)O)O)O |
| TCMBANKIN059144 | ergosta-4,6,8(14),22-tetraen-3-one | ergosta-4,6,8(14),22,tetraen-3-one; AJ-54768; (22E)-Ergosta-4,6,8(14),22-tetren-3-one; (22e,24r)-ergosta-4,6,8(14),22-tetraen-3-one; MolPort-023-298-990; Ergosta-4,6,8(14),22-tetraen-3-one, (22E)-; Ergosta-4,6,8(14),22-tetraen-3-one; (1R,9AR,9BR,11AR)-1-[(2R,3E,5R)-5,6-DIMETHYLHEPT-3-EN-2-YL]-9A,11A-DIMETHYL-1H,2H,3H,8H,9H,9BH,10H,11H-CYCLOPENTA[A]PHENANTHREN-7-ONE; CHEBI:69431; BG01104490; 19254-69-4; CHEMBL3588948; UNII-RI51Y55U8P; Ergone; (22E)-Ergosta-4,6,8(14),22-tetraen-3-one; AKOS022184779; SCHEMBL6365010; (9R,10R,13R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-1,2,9,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one; AK104269; AC1O5V9Q; 24-methylcholesta-4,6,8(14),22-tetraen-3-one; ZINC5761087; W2324; RI51Y55U8P; 27625-48-5; ergone; (9R,10R,13R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-1,2,9,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one; (9R,10R,13R,17R)-10,13-dimethyl-17-[(E,1R,4R)-1,4,5-trimethylhex-2-enyl]-1,2,9,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one; 19254-69-4; Ergosta-4,6,8(14),22-tetraen-3-one, (22E)- | C28H40O | 392.6 g/mol | CC(C)C(C)C=CC(C)C1CCC2=C3C=CC4=CC(=O)CCC4(C3CCC12C)C |
| TCMBANKIN059147 | ergosterin | ergosterol;24-Methylcholesta-5,7,22-trien-3beta-ol; 24alpha-Methyl-22E-dehydrocholestero; (3beta,22E)-Ergosta-5,7,22-trien-3-ol; (7S,9AR,11AR)-1-[(2R,3E,5R)-5,6-DIMETHYLHEPT-3-EN-2-YL]-9A,11A-DIMETHYL-1H,2H,3H,3AH,6H,7H,8H,9H,9BH,10H,11H-CYCLOPENTA[A]PHENANTHREN-7-OL; 45480_FLUKA; (24R)-Ergosta-5,7,22-trien-3b-ol; MEGxm0_000450; Ergosterin; 24R-Methylcholesta-5,7,22E-trien-3b-ol; 57-87-4; Ergosterol; ergosta-5,7,22E-trien-3beta-ol; (3beta)-Ergosta-5,7,22-trien-3-ol; C01694; 5,7,22-Ergostatrien-3beta-ol; AIDS064232; E6510_SIGMA; Provitamin D2; (22E)-Ergosta-5,7,22-trien-3.beta.-ol; A831651; ergosta-5,7,22-trienol; ergosta-5,7,22-trien-3 beta-ol; 24R-Methylcholesta-5,7,22E-trien-3beta-ol; ACon0_000429; ERG; ST073383; (3S,10R,13R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol; 24-Methylcholesta-5,7,22-trien-3b-ol; ACon1_000637; (3beta,2E)-Ergosta-5,7,22-trien-3-ol; Provitamine D2; AIDS-064232; 24a-Methyl-22E-dehydrocholesterol; ergosta-5,7,22-trien-3-ol; 47130U_SUPELCO; LMST01030093; (22E)-ergosta-5,7,22-trien-3beta-ol; ZINC04084618; (3S,9S,10R,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol; 3beta-Hydroxy-5,7,22-ergostatriene; CHEBI:16933; (3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(E,1R,4R)-1,4,5-trimethylhex-2-enyl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol; (22E,24S)-24-methylcholesta-5,7,22-trien-3beta-ol | C28H44O | 396.6 g/mol | CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C2=CC=C4C3(CCC(C4)O)C)C |
| TCMBANKIN059150 | polyporusterone c | polyporusterone C | C28H44O6 | 476.6 g/mol | CC(C)C(C)C1C(O1)C(C)(C2CCC3(C2(CCC4C3=CC(=O)C5C4(CC(C(C5)O)O)C)C)O)O |
| TCMBANKIN059253 | Hexahydro-farnesyl acetone | hexahydro-farnesylacetone; 6,10,14-trimethyl-2-pentadecanone; 6, 10, 14-trimethyl-2-pentadecanone; (6S,10S)-6,10,14-trimethylpentadecan-2-one; 2-pentadecanone,6,10,14-trimethyl-; phytone; 6,10,14-TRIMETHYL-2-PENTADECANONE; hexahydro-farnesyl-acetone; 6,10,14-trimethyl-pentadecan-2-one; C-25231; MFCD00065420; ST049442; 13955-74-3; 2-pentadecanone, 6,10,14-trimethyl; 502-69-2; MCULE-5164481361; AC1Q5H6P; PHYTONE; 6,10,14-Trimethylpentadeca-2-one; 6,10,14-trimethyl pentadecan-2-one; STK761211; OR13502; AN-21434; CTK4J2356; MolPort-001-758-493; (R,R)-Phytone; ZX-AT021772; 2-Pentadecanone,6,10,14-trimethyl-; Hexahydrofarnesyl acetone; 6,10,14-trimethyl-2-pentadecanon; Fitone; AKOS016347358; Hexahydrofarnezylacetone; SBB012620; ZERO/001268; CC-29299; Hexahydrofarnesylacetone; 36116P; 2-Pentadecanone, 6,10,14-trimethyl-; 6,10,14-trimethyl-pentadecane-2-one; W-109084; SCHEMBL716506; Phytol ketone; AKOS001727037; SR-01000526355-1; FT-0632240; SR-01000526355; KB-85744; 6,10,14-Trimethylpentadecan-2-one; hexahydrofarnesylacetone; WHWDWIHXSPCOKZ-UHFFFAOYSA-N; EINECS 207-950-7; AC1L1V4Z; hexahydrofarnesylacetone; 6,10,14-trimethyl-2-pentadecanone; 6,10,14-trimethyl-2-Pentadeeanone; hexahydrofarnesyl acetone; 6,10,14-Trimethylpentadecan-2-one; 2-Pentadecanone, 6,10,14-trimethy-; 6, 10, 14- trimethyl- 2- pentadecanone; (6R,10R)-6,10,14-trimethylpentadecan-2-one; ZINC02169908; 6,10,14-trimethylpentadecan-2-one; 2-pentadecanone,6,10,14-trimethyl; Phytone; hexahydrofarnesyl acetone; perhydrofarnesyl acetone; FITONE | C18H36O | 268.5 g/mol | CC(C)CCCC(C)CCCC(C)CCCC(=O)C |
| TCMBANKIN060106 | Cynotoxin | C23H32O6 | 404.5g/mol | CC12CCC3C(C1(CCC2C4=CC(=O)OC4)O)CCC5(C3(CCC(C5)O)C=O)O | |
| 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 | |
| TCMBANKIN060879 | Linolic acid | C18H32O2 | 280.4 g/mol | CCCCCC=CCC=CCCCCCCCC(=O)O | |
| TCMBANKIN060958 | oleic acid;cis-oleic acid;oleinic acid | C18H34O2 | 282.46 | CCCCCCCCC=CCCCCCCCC(=O)O | |
| TCMBANKIN060959 | Methyl oleate | C19H36O2 | 296.5 g/mol | CCCCCCCCC=CCCCCCCCC(=O)OC | |
| TCMBANKIN060969 | Erucic acid | C22H42O2 | 338.57 | CCCCCCCCC=CCCCCCCCCCCCC(=O)O | |
| TCMBANKIN060996 | UND | C11H24 | 156.31 g/mol | CCCCCCCCCCC | |
| TCMBANKIN061029 | myristic acid | C14H28O2 | 228.37 | CCCCCCCCCCCCCC(=O)O | |
| TCMBANKIN061071 | Ethylpalmitate | C18H36O2 | 284.5 g/mol | CCCCCCCCCCCCCCCC(=O)OCC | |
| TCMBANKIN061091 | stearic acid | CH3(CH2)16COOH | 284.5 g/mol | CCCCCCCCCCCCCCCCCC(=O)O | |
| TCMBANKIN061093 | ethyloctadecanoate | C20H40O2 | 312.5 g/mol | CCCCCCCCCCCCCCCCCC(=O)OCC | |
| TCMBANKIN061105 | Eicosanoic acid | C20H40O2 | 312.53 g/mol | CCCCCCCCCCCCCCCCCCCC(=O)O | |
| TCMBANKIN061106 | Methyl icosanoate | C21H42O2 | 326.56 | CCCCCCCCCCCCCCCCCCCC(=O)OC | |
| TCMBANKIN061118 | behenic acid | C22H44O2 | 340.6 g/mol | CCCCCCCCCCCCCCCCCCCCCC(=O)O | |
| TCMBANKIN061207 | Di-n-butyl phthalate | C16H22O4 | 278.34 g/mol | CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC | |
| TCMBANKIN061425 | Methyl azelate | NSC 59040; Dimethyl nonanedioate; 1732-10-1; Azelaic acid, dimethyl ester (8CI); Azelaic acid dimethyl ester; EINECS 217-060-0; 171026_ALDRICH; AI3-06080; Dimethyl azelate; ZINC01689486; Azelaic acid, dimethyl ester; 141850-72-8; NSC59040; nonanedioic acid dimethyl ester; Nonanedioic acid, dimethyl ester; DSSTox_GSID_44807; NSC 59040; X6034; Nonadioic acid, dimethyl ester; AN-20705; MCULE-3415352484; MFCD00025898; AS-19256; AJ-29983; Nonanedioic Acid Dimethyl Ester; FT-0622519; I14-45046; DSSTox_RID_80490; CHEMBL3188858; ST24030377; AK112196; NSC59040; Dimethyl azelate, >=98.5% (GC); Nonandioic acid, dimethyl ester; Dimethyl azeleate; NCGC00256050-01; KB-251652; UNII-29185K7OEI; Tox21_301713; 1732-10-1; Azelaic acid dimethyl ester; AI3-06080; DB-023082; dimethylazelate; 141850-72-8; AKOS015913922; Nonanedioic acid, dimethyl ester; KS-000014JH; Emery 2914; Azelaic acid, dimethyl ester (8CI); 29185K7OEI; CAS-1732-10-1; EINECS 217-060-0; DRUKNYVQGHETPO-UHFFFAOYSA-N; ST50825660; Dimethyl azelate; Azelaic acid, dimethyl ester; Azelaic acid,dimethyl ester; SCHEMBL118000; MolPort-003-927-086; NSC-59040; Dimethyl azelaate #; AC1L269C; 1,9-dimethyl nonanedioate; C-11681; DTXSID1044807; DIMETHYL NONANEDIOATE; EC 217-060-0; Dimethyl azelate, technical grade, 80%; ACMC-209e65; ZINC1689486; ANW-22635; AX8125373; M112322; Nonanedioic acid, 1,9-dimethyl ester; dimethyl nonane-1,9-dioate; CC-26948; TC-111380; SBB060332; DSSTox_CID_24807; EBD2210782; CTK8B1001; Methyl azelate; dimethyl azelate | C11H20O4 | 216.27 g/mol | COC(=O)CCCCCCCC(=O)OC |
| TCMBANKIN061426 | dimethyl sebacate | Sebacic acid, dimethyl ester; NSC9415; ST50307409; Tox21_200178; dimethyl decane-1,10-dioate; MolPort-001-785-599; AE currencyO notEa paragraph signthorn(1/4)xo yen; DTXSID1026740; KSC174O5R; BB_SC-00429; EC 203-431-4; CJ-28662; DSSTox_RID_78206; CC-26989; DIMETHYL SEBACATE; AC1L1PN9; CTK0H4758; SBB060773; STK018255; BB_SC-0429; Dimethyl octane-1,8-dicarboxylate; TR-001350; AI3-00662; ANW-15441; CAS-106-79-6; RTR-001350; NCGC00248552-01; 106-79-6; MFCD00008472; RL00291; SCHEMBL35275; G87745M355; EINECS 203-431-4; CHEMBL3186083; CJ-06668; Dimethyl decanedioate; Dimethyl sebacate, >=95%; I811; AUO notEa paragraph signthorn(1/4)xo yen; AC1Q5ZZ4; NCGC00257732-01; S0027; NSC-9415; Sebacic acid, dimethyl ester (8CI); Decanedioic acid, dimethyl ester; Decanedioic Acid Dimethyl Ester; DSSTox_CID_6740; TRA0077474; AN-22447; BBL009825; J-001650; KS-00000YSZ; ZINC1699974; C-34415; DSSTox_GSID_26740; Decanedioic acid, 1,10-dimethyl ester; ACMC-2098mb; 1,10-dimethyl decanedioate; UNII-G87745M355; Methyl sebacate; ACN-S002413; 1,8-Octanedicarboxylic Acid Dimethyl Ester; LS-178727; ALOUNLDAKADEEB-UHFFFAOYSA-N; AKOS005378294; Dimethyl sebacate, 99%; FT-0653197; 1,8-Octanedicarboxylic acid-bis-methyl ester; I14-5854; NSC 9415; Dimethyl sebacate, analytical standard; MCULE-8633671524; Sebacic acid dimethyl ester; EINECS 203-431-4; Dimethyl decanedioate; Dimethyl octane-1,8-dicarboxylate; decanedioic acid dimethyl ester; AI3-00662; Sebacic acid, dimethyl ester (8CI); Decanedioic acid, dimethyl ester; Dimethyl sebacate; 223115_ALDRICH; ZINC01699974; ST5307409; NSC 9415; 106-79-6; Sebacic acid dimethyl ester | C12H22O4 | 230.3 g/mol | COC(=O)CCCCCCCCC(=O)OC |
| TCMBANKIN061466 | Isovanillic acid | BRN 2208365; Benzoic acid, 3-hydroxy-4-methoxy-; ST5406548; InChI=1/C8H8O4/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,9H,1H3,(H,10,11; 3-Hydroxyanisic acid; 220108_ALDRICH; Acide isovanillique; 3-HYDROXY-4-METHOXYBENZOIC ACID; isovanillic acid; EINECS 211-430-5; p-Anisic acid, 3-hydroxy-; 3-Hydroxy-p-anisic acid; 3-hydroxy-4-methoxy-benzoic acid;3-hydroxy-4-methoxy benzoicacid;3-Hydroxy-4-methoxybenzoic acid; 3- hydroxy- 4- methoxy- benzoic acid | C8H8O4 | 168.15 g/mol | COC1=C(C=C(C=C1)C(=O)O)O |
| TCMBANKIN061590 | isorhamnetin | 3'-O-Methylquercetin; 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxy-phenyl)chromone; 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxy-phenyl)chromen-4-one; Isorhamnetin; BRN 0044723; Flavone, 3,3',5,7-tetrahydroxy-4'-methoxy-; C10084; Quercetin 3'-methyl ether; 3'-Methoxyquercetin; CCRIS 3791; 3,5,7-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-benzopyrone; 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)- (9CI); C.I. 75680; 4'-Methoxy-3,3',5,7-tetrahydroxy-flavone; ST5309356; Quercetin, 4'-methyl ether; Flavone, 3'-methoxy-3,4',5,7-tetrahydroxy-; AIDS-003060; 480-19-3; ACon1_000275; AIDS003060; 4'-O-Methylquercetin; 3-Methylquercetin; Oprea1_145406; ZINC00517261; 4'-Methoxyquercetin; NCGC00163572-01; 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one; BRN 0324993; 4H-1-Benzopyran-4-one, 2-(3-methoxy-4-hydroxyphenyl)-3,5,7-trihydroxy-; 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)- (9CI); EINECS 210-050-7; 3'-Methoxy-3,4',5,7-tetrahydroxyflavone; MEGxp0_001863; NCGC00163572-02; EINECS 207-545-5; Isorhamnetol; 3,5,7-Trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-benzopyrone; 17794_FLUKA; FLAVONE, 4'-METHOXY-3,3',5,7-TETRAHYDROXY-; 4'-Methylquercetin; 5-18-05-00496 (Beilstein Handbook Reference); 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-; 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-chromenone; 3-Methylquercetine; FLAVONE, 3,4',5,7-TETRAHYDROXY-3'-METHOXY-; 3-methylquercetin; quercetin-3'-methyl ether | C16H12O7 | 316.26 g/mol | COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O |
| TCMBANKIN061745 | syringic acid; Syryngic; 1,5-dimethoxy-3-hydroxybenzoicacid; 3,5-dimethoxy-4-hydroxybenzoic acid; Cedar acid | I01-1212; syringicacid; 3,5-dimethoxy-4-oxidanyl-benzoate; CHEBI:132111; 4-hydroxy-3,5-dimethoxybenzoate; c1409; ZB006317; AKOS015888648; A824548; A829374; CJ-01507; AC1OC351; ST51051575; C10833; DivK1c_006581; KBio3_002814; 530-57-4; AI3-24376; 3,5-Dimethoxy-4-hydroxybenzyl acid; S6881_SIGMA; BSPBio_003312; InChI=1/C9H10O5/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4,10H,1-2H3,(H,11,12; EINECS 208-486-8; Gallic acid 3,5-dimethyl ether; Syringic acid; NSC2129; Spectrum3_001866; 4-10-00-01995 (Beilstein Handbook Reference); 4-Hydroxy-3,5-dimethoxybenzoic acid; SpecPlus_000485; NSC 2129; 4-hydroxy-3,5-dimethoxy-benzoic acid; Spectrum5_000963; ST5214746; KBio1_001525; BRN 2115262; 3,5-Dimethoxy-4-hydroxybenzoic acid; Benzoic acid, 4-hydroxy-3,5-dimethoxy- | C9H10O5 | 198.17 g/mol | COC1=CC(=CC(=C1O)OC)C(=O)O |
| TCMBANKIN061751 | Sinapaldehyde | (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenal; 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enal; 3-(4-hydroxy-3,5-dimethoxy-phenyl)prop-2-enal; 4206-58-0; (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enal; 3,5-Dimethoxy-4-hydroxycinnamaldehyde; sinapaldehyde; 3-(4-hydroxy-3,5-dimethoxy-phenyl)acrolein; 3,5-Dimethoxy-4-hydroxycinnamaldehyde (E); (E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)prop-2-enal; MEGxp0_001085; (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enal; Sinapinaldehyde; trans-3,5-Dimethoxy-4-hydroxycinnamaldehyde; 2-Propenal, 3-(4-hydroxy-3,5-dimethoxyphenyl)-, (E)-; (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)acrylaldehyde; (E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)acrolein; C05610; ACon1_001103; 382159_ALDRICH; Sinapoyl aldehyde; (2E)-3-(4-Hydroxy-3,5-dimethoxyphenyl)-2-propenal; sinapyl aldehyde; CHEBI:27949;sinapal dehyde | C11H12O4 | 208.21 | COC1=CC(=CC(=C1O)OC)C=CC=O |
| TCMBANKIN061752 | Syringaldehyde | BP-12551; W-108274; SYRINGIC ALDEHYDE; TL8000818; F2190-0619; 3,5-Dimethoxy-4-hydroxybenzene carbonal; SBB007558; syringaldehyde; Benzaldehyde,5-dimethoxy-4-hydroxy-; 134S963; Syringaldehyde (3,5-Dimethoxy-4-hydroxybenzaldehyde); MolPort-000-871-246; 4-08-00-02718 (Beilstein Handbook Reference); AC-7993; Syringylaldehyde; RP24321; Benzaldehyde, 4-hydroxy-3,5-dimethoxy-; 3,5-Dimethoxy-4-Hydroxy-Benzaldehyde; M-5269; BBL023037; CJ-01202; BB_NC-1418; 3,5-Dimethoxy-4-hydroxybenzaldehyde; 134-96-3; DTXSID2059643; AK-58336; Gallaldehyde 3,5-dimethyl ethel; Syringaldehyde, 98%; EINECS 205-167-5; NSC 41153; AIDS-340410; MCULE-3798898100; CD0099; AB1002509; 86220_FLUKA; FT-0618631; AI3-28796; D0635; Syringealdehyde; S7602_ALDRICH; Syringaldehyde, analytical standard; 4-Hydroxy-3,5-dimethoxybenzaldehydl; AN-8414; CHEBI:67380; AJ-12845; InChI=1/C9H10O4/c1-12-7-3-6(5-10)4-8(13-2)9(7)11/h3-5,11H,1-2H; Syringaldehyde, Vetec(TM) reagent grade, 98%; KCDXJAYRVLXPFO-UHFFFAOYSA-N; BG00602125; 3,5-DIMETHOXY-4-HYDROXYBENZALDEHYDE, PURE; STR09162; UNII-2ZR01KTT21; Syringaldehyde, >=98%, FG; 3,5-Dimethoxy-4-hydroxybenzaldehyde; 4-Hydroxy-3,5-dimethoxybenzaldehyde; TR-004732; ST093694; NSC-41153; RTR-004732; AT-3143; Syringe aldehyde; 4CN-0961; 4-hydroxy-3,5-dimethoxy-benzaldehyde; CTK0H4628; 4-Hydroksy-3,5-dwumetoksybenzaldehyd [Polish]; 3,5-Dimethoxy-4-hydroxy benzaldehyde; ANW-19730; bmse010204; syringaldehye; KSC174M2R; 4-hydroxy-3,5-dimethoxy benzaldehyde; bmse000595; KB-60663; AP-065/41884112; Cedar aldehyde; MFCD00006943; Springaldehyde; ACMC-209bxg; ZINC152926; BRN 0784514; AIDS340410; SC-50428; AKOS000119539; CHEMBL225303; 4-Hydroxy-3,5-dimethoxybenzaldehyde; SYRINGALDEHYDE; NSC41153; SCHEMBL150376; 4-Hydroksy-3,5-dwumetoksybenzaldehyd; CS-0016810; I01-1214; Benzaldehyde, 3,5-dimethoxy-4-hydroxy-; Gallaldehyde 3,5-dimethyl ether; AC1Q489M; AC1L1RFP; STK801968; LS-25017; Syringic aldehyde; 2ZR01KTT21; ZINC00152926; J10333; W404926_ALDRICH; ST2411453;syringic aldehyde;3,5-dimethoxy-4-hydroxybenzaldehyde;yringaldehyde | C9H10O4 | 182.17 g/mol | COC1=CC(=CC(=C1O)OC)C=O |
植物对应的疾病
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植物对应的靶点
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