Plant Summary
Plant Information
TCMBank_ID: | TCMBANKHE005628 |
YEM_ID: | YEM-121 |
ID: | TCMBANKHE005628/YEM-121 |
植物拉丁名: |
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功能与主治: | To lessen contracture, regulate stomach function, and dispel damp./Vomiting and diarrhea with cramp, wind-damp impediment pain, cough and abundant phlegm, diarrhea, dysentery, painful wound from knocks and falls, beriberi with edema. |
药用植物名: | 木瓜|皱皮木瓜 |
药名: | 木瓜 |
来源: | 云南民族药物志：第一卷 |
药用部位: | fruit |
使用民族: | 傣族/景颇族/苗族/彝族/藏族 |
药味: | Warm; Sour |
经络: | Spleen; Liver |
临床特征: | Its decoction inhibits the development of egg-white induced arthritis in mice. |
治疗类型: | 祛风湿散寒药 |
TCM_ID_id: | 4889 |
SymMap_id: | 288 |
TCMSP_id: | 518 |
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 |
|---|
| TCMBANKIN000778 | Ye acetate ester | ||||
| TCMBANKIN002565 | Lauric anhydride | 286486_ALDRICH; dodecanoic acid 1-oxododecyl ester; EINECS 211-449-9; L1632_SIGMA; dodecanoyl dodecanoate; Dodecanoic acid, anhydride; 645-66-9; Lauroyl anhydride; lauric acid lauroyl ester; Dodecanoic anhydride; NSC293871 | C24H46O3 | 382.62 | CCCCCCCCCCCC(=O)OC(=O)CCCCCCCCCCC |
| TCMBANKIN002685 | fiavone | ||||
| TCMBANKIN002724 | Butyl octanoate | NSC 23740; caprylic acid butyl ester; octanoic acid butyl ester; 589-75-3; Caprylic acid n-butyl ester; NSC23740; Octanoic acid, butyl ester; n-Butylcaprylate; AI3-30983; EINECS 209-659-0; Butyl caprylate | C12H24O2 | 200.32 | CCCCCCCC(=O)OCCCC |
| TCMBANKIN002746 | 2,2,6α, 7- tetramethyl- bicyclo [4.3.0]-1(9), 7-nonadiene-5-ol | ||||
| TCMBANKIN003193 | ent-Epicatechin | AIDS026330; AIDS-026330; (2S,3S)-2-(3,4-dihydroxyphenyl)chroman-3,5,7-triol; (+)-Epicatechin; 35323-91-2; C09728; 2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2S-cis)-; ZINC00119978 | C15H14O6 | 290.27 | C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O |
| TCMBANKIN003591 | Octyl butyrate | FEMA No. 2807; n-Octyl butyrate; 110-39-4; W280704_ALDRICH; Octyl butanoate; butanoic acid octyl ester; EINECS 203-762-4; Butanoic acid, octyl ester; NSC72032; NSC 72032; n-Octyl n-butyrate; Octyl butyrate (natural); butyric acid octyl ester; W280712_ALDRICH; Butyric acid, octyl ester (8CI); AI3-24204; Butyric acid, octyl ester | C12H24O2 | 200.32 | CCCCCCCCOC(=O)CCC |
| TCMBANKIN003755 | superoxide dismutase | ||||
| TCMBANKIN004223 | 3-furanmethanol-β-D-glucopyranoside | C11H16O7 | 260.24 | ||
| TCMBANKIN004360 | Hexyl octylate | Hexyl octanoate; AI3-33727; 1117-55-1; Hexyl octanoate (natural); W257508_ALDRICH; 3-02-00-00794 (Beilstein Handbook Reference); BRN 1769635; OCTANOIC ACID, HEXYL ESTER; FEMA No. 2575; n-Hexyl caprylate; octanoic acid hexyl ester; Hexyl caprylate; caprylic acid hexyl ester; EINECS 214-247-9 | C14H28O2 | 228.37 | CCCCCCCC(=O)OCCCCCC |
| TCMBANKIN004710 | 8,11,14-triene methyl eicosenoic | ||||
| TCMBANKIN005383 | 3-hydroxykynurenine | C10H12N2O4 | 224.21 | C1=CC(=C(C(=C1)O)N)C(=O)CC(C(=O)[O-])[NH3+] | |
| TCMBANKIN005711 | 4'-Hydroxy-3'-methoxycinnamaldehyde | (Z)-3-(4-hydroxy-3-methoxy-phenyl)acrolein; 2-Propenal, 3-(4-hydroxy-3-methoxyphenyl), (Z)-; EINECS 207-278-4; (Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal; (Z)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enal | C10H10O3 | 178.18 | COC1=C(C=CC(=C1)C=CC=O)O |
| TCMBANKIN005801 | (Z)-2- heptaldehyde | C9H20N2 | CCCCCCC=NN(C)C | ||
| TCMBANKIN005961 | 3-O- acetyl slope mold alkyd | ||||
| TCMBANKIN006175 | carpaine | CHEBI:3433; 13,26-Dimethyl-2,15-dioxa-12,25-diazatricyclotriacontane-3,16-dione; (1S,11R,13S,14S,24R,26S)-13,26-dimethyl-2,15-dioxa-12,25-diazatricyclo[22.2.2.211,14]triacontane-3,16-dione; VLR223H4QP; AC1L9D45; EINECS 222-414-2; SCHEMBL1443089; (+)-Carpaine; UNII-VLR223H4QP; 3463-92-1; ZINC100071528; C10135; Carpaine | C28H50N2O4 | 478.7 g/mol | CC1C2CCC(N1)CCCCCCCC(=O)OC3CCC(CCCCCCCC(=O)O2)NC3C |
| TCMBANKIN006754 | MLT | NSC9232; 97-67-6; nchembio867-comp7; 02288_FLUKA; L-2-Hydroxybutanedioic acid; M7397_SIGMA; L-Apple acid; (2S)-2-hydroxysuccinic acid; L-Malic acid; 112577_ALDRICH; S-(-)-Malic acid; M1000_SIGMA; C00149; (-)-Hydroxysuccinic acid; L-(-)-Malic acid; L-(−)-Malic acid; (2S)-2-Hydroxybutanedioic acid; (S)-(−)-2-Hydroxysuccinic acid; (S)-Malic acid; (-)-Malic acid; MALIC ACID, (L); M6413_SIGMA; CHEBI:30797 | C4H6O5 | 134.09 | C(C(C(=O)O)O)C(=O)O |
| TCMBANKIN006975 | Leaves acid ester | ||||
| TCMBANKIN007128 | Glycidyl methacrylate | C7H10O3 | 142.15 g/mol | CC(=C)C(=O)OCC1CO1 | |
| TCMBANKIN007191 | Cyclobutene-1-methanol | C5H8O | C1C=CC1CO | ||
| TCMBANKIN008009 | Violet alcohol dihydro-β | ||||
| TCMBANKIN008089 | 2,6-dimethyl-5-heptenal | C9H16O | 140.22 g/mol | CC(CCC=C(C)C)C=O | |
| TCMBANKIN008426 | Orange pepper alcohol | ||||
| TCMBANKIN008457 | Ethyl 3-(methylthio)propionate | ZINC01648986; 3-(Methylthio)propanoic acid ethyl ester; 3-(methylthio)propionic acid ethyl ester; 13327-56-5; Propanoic acid, 3-(methylthio)-, ethyl ester; Ethyl beta-methylthiopropionate; 3-(Methylthio)propionic acid ethylester; EINECS 236-370-7; FEMA No. 3343; NSC165650; Ethyl methyl mercaptopropionate; Propionic acid, 3-(methylthio)-, ethyl ester; Ethyl 3-methylmercaptopropionate; ethyl 3-methylsulfanylpropanoate; Ethyl .beta.-methylthiopropionate; NSC 165650; W334308_ALDRICH; Ethyl 3-(methylthio)propanoate | C6H12O2S | 148.22 | CCOC(=O)CCSC |
| TCMBANKIN009041 | Ethyl oleate | 9-Octadecenoic acid (Z)-, ethyl ester; 9-Octadecenoic acid, (Z)-, ethyl ester; NSC 229428; 9-Octadecenoic acid, ethyl ester, (E)-; EINECS 203-889-5; Ethyl cis-9-octadecenoate; 9-OCTADECENOIC ACID ETHYL ESTER (Z); FEMA No. 2450; EINECS 228-082-5; octadec-9-enoic acid ethyl ester; Oleic acid, ethyl ester; 9-Octadecenoic acid (9Z)-, ethyl ester; Ethyl elaidate; ST5410316; ethyl (E)-octadec-9-enoate; (E)-octadec-9-enoic acid ethyl ester; ethyl oleate; 111-62-6; AI3-00657; 6114-18-7; Ethyl oleate (natural); Ethyl (9E)-9-octadecenoate; Elaidic acid ethyl ester; NSC229428; ethyl octadec-9-enoate; Ethyl 9-octadecenoate, (Z)-; (E)-9-Octadecenoic acid ethyl ester; E8377_SIGMA; 9-Octadecenoic acid, ethyl ester; Oleic acid, ethyl ester (6CI,8CI) | C20H38O2 | 310.51 | CCCCCCCCC=CCCCCCCCC(=O)OCC |
| TCMBANKIN009653 | 2-methyl-pentanal | C6H12O | 100.16 g/mol | CCCC(C)C=O | |
| TCMBANKIN010860 | 4,6(E), 8(E)- triene giant beans | ||||
| TCMBANKIN011586 | Cis-3,3-dimethyl-1,2,3,4-tetrahydro-naphthalene-1,2-diol | ||||
| TCMBANKIN011737 | Isovalerate | C5H9O2- | 101.12 g/mol | CC(C)CC(=O)[O-] | |
| TCMBANKIN012067 | 3-Hexenyl-beta-glucopyranoside | 3-Hexenyl-beta-D-glucopyranoside; (E)-2-Hexenyl-beta-D-glucopyranoside; 95632-87-4; beta-D-Glucopyranoside, 3-hexenyl, (Z)-; (2R,3R,4S,5S,6R)-2-[(E)-hex-3-enoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol; (2R,3R,4S,5S,6R)-2-[(E)-hex-3-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol; (2R,3R,4S,5S,6R)-2-[(E)-hex-3-enoxy]-6-methylol-tetrahydropyran-3,4,5-triol | C12H22O6 | 262.3 | CCC=CCCOC1C(C(C(C(O1)CO)O)O)O |
| TCMBANKIN013125 | Myristate | myristate | C14H27O2- | 227.36 g/mol | CCCCCCCCCCCCCC(=O)[O-] |
| TCMBANKIN013914 | Eicosyl | C20H42NaO4S | CCCCCCCCCCCCCCCCCCCCOS(=O)(=O)O.[Na] | ||
| TCMBANKIN014292 | 3(-Z)-p- coumaroyl betulin | ||||
| TCMBANKIN014350 | Tar | 95330_FLUKA; NCIStruc2_000222; CHEBI:15672; NSC-155080; 95320_FLUKA; C02107; T206_ALDRICH; (S,S)-Tartrate; NCIStruc1_000172; T400_ALDRICH; D-threaric acid; (2S,3S)-2,3-dihydroxybutanedioic acid; (2S,3S)-Tartaric acid; DL-2,3-Dihydroxybutanedioic acid; 483796_ALDRICH; D-Tartaric acid; D-Tartrate; D(-)-TARTARIC ACID; D-(−)-Tartaric acid; (S,S)-Tartaric acid; 03918_FLUKA; (-)-Weinsaeure; 147-71-7; Linksweinsaeure; (-)-Tartaric acid; NCI155080; (2S,3S)-(−)-Tartaric acid; NCGC00014424 | C4H6O6 | 150.09 | C(C(C(=O)O)O)(C(=O)O)O |
| TCMBANKIN014954 | Potentilla acid | ||||
| TCMBANKIN015360 | Furan furfural | ||||
| TCMBANKIN015953 | Methyl 2,5-octadecadiynoate | octadeca-2,5-diynoic acid methyl ester; 2,5-OCTADECADIYNOIC ACID, METHYL ESTER; 57156-91-9; methyl octadeca-2,5-diynoate | C19H30O2 | 290.44 | CCCCCCCCCCCCC#CCC#CC(=O)OC |
| TCMBANKIN016322 | Methyl-1-ethylbenzene | ||||
| TCMBANKIN016904 | 9,12eighteen- dienoic acid | ||||
| TCMBANKIN017221 | linoleic acid | (9E,12E)-octadeca-9,12-dienoate; AC1NYW3V; sodium (9E,12E)-octadeca-9,12-dienoate; BDBM22336; 9,12-octadecadienoate; linoleicacid | C18H31O2- | 279.4 g/mol | CCCCCC=CCC=CCCCCCCCC(=O)[O-] |
| TCMBANKIN017250 | Lupine-20(29)ethylenically-3β, 24,28- triol | ||||
| TCMBANKIN017327 | 2-butyl-1,1,3-trimethyl cyclohexane | C13H26 | 182.35 | CCCCC1C(CCCC1(C)C)C | |
| TCMBANKIN017757 | Oleanolic acid-28-O-beta-D-glucopyranoside | oleanolicacid-28-o-β-d-glucopyranoside; oleanolic acid-28-o-beta-d-glucopyranoside | C36H58O8 | 618.8 g/mol | CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C(=O)OC6C(C(C(C(O6)CO)O)O)O)C |
| TCMBANKIN018215 | 2,2,6β, 7- tetramethyl- bicyclo [4.3.0] nonane-5-ol | ||||
| TCMBANKIN018513 | Papain | C19H29N7O6 | C1=CC(=CC=C1CC(C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)CNC(=O)CN)O | ||
| TCMBANKIN019080 | Estra-1,3,5(10)- triene alcohol-17β- | ||||
| TCMBANKIN019298 | 2- undecylenic aldehyde | ||||
| TCMBANKIN019553 | 2,4-decenal | ||||
| TCMBANKIN019902 | 3, 4-dihydroxybenzoicacid4-O-(4′-O-methyl)-β-D-glucopyranoside | ||||
| TCMBANKIN019997 | 6- octadecenoic acid methyl ester | C19H36O2 | 296.5 g/mol | CCCCCCCCCCCC=CCCCCC(=O)OC | |
| TCMBANKIN020409 | (Z, Z)-8,10--hexadecadienoyl 1-ol | ||||
| TCMBANKIN021057 | 1,2,3,4,4α, 5,6,7- octahydro-α, α, 4α, 8- tetramethyl-2-naphthalene methanol | ||||
| TCMBANKIN021112 | SKM | 3,4,5-Trihydroxy-1-cyclohexenecarboxylic acid; C00493; HSDB 3537; CHEBI:16119; (3R,4S,5R)-(−)-3,4,5-Trihydroxy-1-cyclohexenecarboxylic acid; S5375_SIGMA; SMP1_000326; KBio2_001712; 1-Cyclohexene-1-carboxylic acid, 3,4,5-trihydroxy-, (3R-(3alpha,4alpha,5beta)); KBio1_001528; (3R,4S,5R)-(-)-3,4,5-Trihydroxy-1-cyclohexenecarboxylic acid; SPBio_001555; SDCCGMLS-0066740.P001; 1-Cyclohexene-1-carboxylic acid, 3,4,5-trihydroxy-, (3R-(3alpha,4alpha,5beta))-; NSC 59257; SPECTRUM1502256; EINECS 205-334-2; KBio2_006848; Shikimic acid [3R-(3alpha,4alpha,5beta)]-3,4,5-Trihydroxy-1-cyclohexene-1-carboxylic acid; L-Shikimic acid; InChI=1/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,8-10H,2H2,(H,11,12)/t4-,5-,6-/m1/s; NCGC00142601-01; KBioSS_001712; 1-Cyclohexene-1-carboxylic acid, 3,4,5-trihydroxy-, (3R,4S,5R)- (9CI); SBB012371; (3R,4S,5R)-3,4,5-trihydroxy-1-cyclohexenecarboxylic acid; Spectrum3_001541; (3R,4S,5R)-3,4,5-trihydroxycyclohexene-1-carboxylic acid; 1-Cyclohexene-1-carboxylic acid, 3,4,5-trihydroxy-, (3R-(3alpha,4alpha,5beta))- (9CI); KBio2_004280; Spectrum2_001508; (3R,4S,5R)-3,4,5-Trihydroxycyclohex-1-enecarboxylic acid; (-)-Shikimic acid; BSPBio_002982; CCRIS 7681; 1-cyclohexene-1-carboxylic acid, 3,4,5-trihydroxy-, (3R,4S,5R)-; KBio3_002482; MEGxp0_001939; Spectrum5_000386; SpecPlus_000488; DHK; Spectrum4_001853; DivK1c_006584; [3R-(3alpha,4alpha,5beta)]-3,4,5-trihydroxy-1-cyclohexene-1-carboxylic acid; Spectrum_001232; 3alpha,4alpha,5beta-Trihydroxy-1-cyclohexene-1-carboxylic acid; SR-01000632403-1; KBioGR_002287; (-)-3,4,5-Trihydroxy-1-cyclohexene-1-carboxylic acid; S-5181; (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID | C7H10O5 | 174.15 | CC(C)(C)OC(=O)N1C2=C(C=N1)C(=CC=C2)Br |
| TCMBANKIN021228 | 8- methyl-1-undecene | C12H24 | 168.32 g/mol | CCCC(C)CCCCCC=C | |
| TCMBANKIN021389 | Allyl anisole | C10H12O | 148.2 g/mol | C=CCCOC1=CC=CC=C1 | |
| TCMBANKIN021701 | γ- eucalyptol | ||||
| TCMBANKIN021910 | 4,7-dimethyl-undecanoic | ||||
| TCMBANKIN022087 | CCP1 | C26H26Cl2P2Pt+2 | C1=CC=C(C=C1)[PH+](CC[PH+](C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.Cl[Pt]Cl | ||
| TCMBANKIN022595 | vanilla acid | ||||
| TCMBANKIN022718 | γ- valerolactone | ||||
| TCMBANKIN023022 | Ocimenol | (5E)-2,6-dimethylocta-5,7-dien-2-ol; EINECS 227-806-7; 5986-38-9; 5,7-OCTADIEN-2-OL, 2,6-DIMETHYL-; ocimenol; 2,6-Dimethyl-5,7-octadien-2-ol | C10H18O | 154.25 | CC(=CCCC(C)(C)O)C=C |
| TCMBANKIN023502 | Benzene acid | ||||
| TCMBANKIN024085 | Hi-Dry | 86660_FLUKA; ZINC01591820; NCGC00164038-01; EDO-EDO-EDO-EDO; NSC 1262; 3,6,9-Trioxaundecane-1,11-diol; 2,2'-[oxybis(ethane-2,1-diyloxy)]diethanol; 112-60-7; BRN 1634320; PG4; Ethanol, 2,2'-(oxybis(2,1-ethanediyloxy))bis-; Tetraethylene glycol; 4-01-00-02403 (Beilstein Handbook Reference); Tetra(ethylene glycol); PEG-4; WLN: Q2O2O2O2Q; Bis[2-(2-hydroxyethoxy)ethyl] ether; Ethanol, 2,2'-[oxybis(ethyleneoxy)]di-; Carbitol, diethyl; Tetraglycol; Ethanol, 2,2'-[oxybis(2,1-ethanediyloxy)]bis-; AI3-01838; Ethanol, 2,2'-(oxybis(ethyleneoxy))di-; 110175_ALDRICH; 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol; 2-(2-[2-(2-hydroxyethoxy)ethoxy]ethoxy)ethanol; 3,6,9-trioxaundecan-1,11-diol; EINECS 203-989-9; 79688-08-7; NSC1262; HSDB 843; 2,2'-[oxybis(2,1-ethanediyloxy)]bisethanol; CHEBI:44920 | C8H18O5 | 194.23 | C(COCCOCCOCCO)O |
| TCMBANKIN024193 | 2-isopropyl-8-methylphenanthrene-3,4-dione | 8-methyl-2-propan-2-ylphenanthrene-3,4-dione; 3,4-Phenanthrenedione, 8-methyl-2-(1-methylethyl)-; 2-isopropyl-8-methyl-phenanthrene-3,4-dione; 87112-49-0; Ro-09-0680; Ro 09-0680; 2-isopropyl-8-methyl-phenanthrene-3,4-quinone; 8-methyl-2-propan-2-yl-phenanthrene-3,4-dione | C18H16O2 | 264.32 | CC1=C2C=CC3=C(C2=CC=C1)C(=O)C(=O)C(=C3)C(C)C |
| TCMBANKIN024356 | Paraldehyde | C6H12O3 | 132.16 | CC1OC(OC(O1)C)C | |
| TCMBANKIN024680 | Hexyl hexoate | 6378-65-0; Hexyl hexanoate (natural); Hexyl hexanoate; BRN 1762037; AI3-06035; Hexyl caproate; W257206_ALDRICH; EINECS 228-952-4; NSC53799; FEMA No. 2572; NSC 53799; hexanoic acid hexyl ester; WLN: 6OV5; n-Hexyl hexanoate; Hexanoic acid, hexyl ester | C12H24O2 | 200.32 | CCCCCCOC(=O)CCCCC |
| TCMBANKIN025136 | 3-epiacetyloleanolic acid | ||||
| TCMBANKIN025144 | 25-Nor-5(10)-dehydroisokarounidiol | (3R,6aS,6bS,8aS,11R,12aR)-4,4,6a,6b,8a,11-hexamethyl-11-methylol-2,3,7,8,9,10,12,12a,13,14-decahydro-1H-picen-3-ol; (3R,6aS,6bS,8aS,11R,12aR)-11-(hydroxymethyl)-4,4,6a,6b,8a,11-hexamethyl-2,3,7,8,9,10,12,12a,13,14-decahydro-1H-picen-3-ol; AIDS-113416; AIDS113416; (3R,6bS,8aS,11R,12aR,12bS)-11-Hydroxymethyl-4,4,6b,8a,11,12b-hexamethyl-1,2,3,4,6b,7,8,8a,9,10,11,12,12a,12b,13,14-hexadecahydro-picen-3-ol | C29H44O2 | 424.7 g/mol | CC1(C(CCC2=C1C=CC3=C2CCC4(C3(CCC5(C4CC(CC5)(C)CO)C)C)C)O)C |
| TCMBANKIN025272 | 4- hexyl alcohol acetate | C22H30Cl2N10 | C1=CC(=CC=C1NC(=NC(=NCCCCCCN=C(N)N=C(N)NC2=CC=C(C=C2)Cl)N)N)Cl | ||
| TCMBANKIN025358 | benzoic acid | Benzoic acid, 2-[(carboxymethyl)amino]-4-chloro-; 2-[(carboxymethyl)amino]-4-chlorobenzoic acid; DTXSID70455462; BG00311790; AC-17987; AX8062950; 2-carboxymethylamino-4-chlorobenzoic acid; KB-223858; AK140629; 99282-79-8; benzoicacid; CTK5I0315; 2-(Carboxymethyl-amino)-4-chloro-; AKOS015963713; SCHEMBL3236365; 2-(carboxymethylamino)-4-chlorobenzoic acid; benzoic acid ; 2-(CARBOXYMETHYL-AMINO)-4-CHLORO-BENZOIC ACID; AJ-79604; 2-((Carboxymethyl)amino)-4-chlorobenzoic acid; UDXGKLGUAJLLCJ-UHFFFAOYSA-N; ZINC21988796 | C7H6O2 | 122.12 | C1=CC(=C(C=C1Cl)NCC(=O)O)C(=O)O |
| TCMBANKIN025505 | tartaric acid | tartaricacid; LS-188035 | C4H6O6 | 150.09 g/mol | C(C(C(=O)O)O)(C(=O)O)O |
| TCMBANKIN026125 | Chymopapain | C6H6O8S2 | 270.2 g/mol | C1=C(C=C(C(=C1O)O)S(=O)(=O)O)S(=O)(=O)O | |
| TCMBANKIN026161 | 2-vinyl- tetrahydro-pyran-2,6,6-trimethyl--2H- | ||||
| TCMBANKIN026420 | Chloro-5-chloro-dodecanoic acid methyl ester | ||||
| TCMBANKIN026927 | Butyl caproate | FEMA No. 2201; NSC 4022; AI3-06129; N-BUTYL HEXANOATE; EINECS 210-964-6; Butyl caproate (natural); 626-82-4; NSC4022; hexanoic acid butyl ester; BRN 1754426; W220108_ALDRICH; Hexanoic acid, butyl ester; Butyl hexanoate | C10H20O2 | 172.26 | CCCCCC(=O)OCCCC |
| TCMBANKIN027109 | 1-p- Mint ene | ||||
| TCMBANKIN027838 | Lupeol acetate | lupeol acetate; 3-Acetyllupeol; Acetic acid (1R,3aR,4S,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-1-isopropenyl-3a,5a,5b,8,8,11a-hexamethyl-eicosahydro-cyclopenta[a]chrysen-9-yl ester; C08630; AIDS-076591; Lup-20(29)-en-3-ol, acetate, (3beta)-; LMPR01060014; AIDS076591; Lup-20(29)-en-3beta-ol, acetate (8CI); NSC 281806; 1617-68-1; EINECS 216-575-8 | C32H52O2 | 468.75 | CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)OC(=O)C)C)C |
| TCMBANKIN028704 | 1,2,3,5,8,8a- hexahydro-7-methyl- naphthalene | ||||
| TCMBANKIN030146 | Octyl acid | ||||
| TCMBANKIN030694 | 2α,3α-dihydroxy-19-oxo-18,19-seco-urs-11,13(18)-dien-28-oicacid | C30H46O5 | |||
| TCMBANKIN030988 | 2-hexyl-cyclopropaneoctanoic acid methyl ester | C18H34O2 | 282.46 | CCCCCCC1CC1CCCCCCCC(=O)OC | |
| TCMBANKIN031102 | HEXYL BUTYRATE | EINECS 220-136-6; Hexyl butanoate; Butanoic acid, hexyl ester; AI3-33290; butyric acid hexyl ester; n-Hexyl butanoate; FEMA No. 2568; n-Hexyl butyrate; BRN 1754469; 1-Hexyl butyrate; n-Hexyl n-butanoate; Butyric acid, hexyl ester; butanoic acid hexyl ester; Hexyl butyrate; W256811_ALDRICH; Hexyl butyrate (natural); 2639-63-6; W256803_ALDRICH | C10H20O2 | 172.26 | CCCCCCOC(=O)CCC |
| TCMBANKIN031140 | 28-O-β-D-glucopyranosyl-3β,7β-dihydroxy-lup-20(29)-en-28-oate | 689.04 | |||
| TCMBANKIN031282 | CSP | C34H28N10Na2O8S2 | COC1=NC(=NC(=N1)NC2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)NC4=NC(=NC(=N4)NC5=CC=CC=C5)OC)S(=O)(=O)[O-])S(=O)(=O)[O-])NC6=CC=CC=C6.[Na+].[Na+] | ||
| TCMBANKIN031696 | Octacosanate | C28H55O2- | CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-] | ||
| TCMBANKIN032517 | Isosorbide | C6H10O4 | 146.14 g/mol | C1C(C2C(O1)C(CO2)O)O | |
| TCMBANKIN032701 | Coca-diol | ||||
| TCMBANKIN033312 | Dodecyl trimethyl-2,6,11- | ||||
| TCMBANKIN033576 | (E, E)-2,4- hexadienal | (E, E)-2,4-hexadienal | C6H8O | 96.13 g/mol | CC=CC=CC=O |
| TCMBANKIN033702 | citric acid | InChI=1/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12; NCGC00090954-02; NCGC00090954-01; HSDB 911; CIT; Citric acid (8CI); BRN 0782061; NCIStruc2_000099; 27109_RIEDEL; AIDS-017733; 1,2,3-PROPANETRICARBOXYLIC ACID,2-HYDROXY (CITRIC ACID); citr; 27488_FLUKA; FEMA No. 2306; E 330; 27485_FLUKA; 27487_FLUKA; 77-92-9; C2404_SIGMA; 2-Hydroxytricarballylic acid; NCIOpen2_004502; F 0001 (polycarboxylic acid); EPA Pesticide Chemical Code 021801; AI3-06286; 245654-34-6; 1,2,3-Propanetricarboxylic acid, 2-hydroxy-; Citretten; Kyselina citronova; 2-hydroxypropane-1,2,3-tricarboxylic acid; Anhydrous citric acid; Citrate standard for IC; C83155_SIAL; LS-2418; WLN: QV1XQVQ1VQ; 1,2,3-Propanetricarboxylic acid, 2-hydroxy- (9CI); NSC30279; .beta.-Hydroxytricarballylic acid; NSC 626579; FLC; NCI60_022579; LS-3185; 2-hydroxy-1,2,3-propanetricarboxylic acid; Caswell No. 221C; EINECS 201-069-1; 43136-35-2; 251275_SIAL; 38730_FLUKA; C4540_SIGMA; FEMA Number 2306; 4-03-00-01272 (Beilstein Handbook Reference); 3-Carboxy-3-hydroxypentane-1,5-dioic acid; Citric acid anhydrous (JAN); C00158; 12262-73-6; 240621_ALDRICH; AIDS017733; MLS001066346; Kyselina 2-hydroxy-1,2,3-propantrikarbonova [Czech]; 2-Hydroxypropanetricarboxylic acid; CCRIS 3292; KBio3_002740; NSC626579; D00037; SBB008922; Kyselina citronova [Czech]; Aciletten; NSC 30279; Anhydrous citric acid (JP15); 46933_SUPELCO; NCIOpen2_004062; Citric acid solution; CHEBI:30769; Citro; BSPBio_003240; NCIStruc1_000057; Uro-trainer; Citric acid, anhydrous (USP); W230618_ALDRICH; Citric acid [USAN:JAN]; H3cit; Chemfill; Hydrocerol A; Suby G; Oprea1_502996; Citric acid, anhydrous; SMR000471840; Citric acid anhydrous; Spectrum3_001850 | C6H8O7 | 192.12 | C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
| TCMBANKIN033810 | 1-Cyclohexene-1-propanol,a,2,6,6-tetramethyl | C13H24O | 196.33 | ||
| TCMBANKIN033834 | Pyrocinchonic anhydride | Maleic anhydride, dimethyl-; 766-39-2; WLN: T5VOVJ D1 E1; HSDB 5517; 3,4-dimethylfuran-2,5-quinone; D167800_ALDRICH; alpha,beta-Dimethylmaleic anhydride; .alpha.,.beta.-Dimethylmaleic anhydride; EINECS 212-165-8; Dimethylmaleic anhydride; 40750_FLUKA; NSC92512; 3,4-dimethylfuran-2,5-dione; 2,3-DIMETHYLMALEIC ANHYDRIDE; Dimethylmaleic acid anhydride; InChI=1/C6H6O3/c1-3-4(2)6(8)9-5(3)7/h1-2H; NSC 92512; 2,5-Furandione, 3,4-dimethyl- | C6H6O3 | 126.11 | CC1=C(C(=O)OC1=O)C |
| TCMBANKIN034668 | Nonanol | CAS-3452-97-9; 4-01-00-01798 (Beilstein Handbook Reference); Tox21_303600; 3,5,5-Trimethylhexyl alcohol; W278904_ALDRICH; i-Nonyl alcohol; 1-Hydroxynonane; Trimethylhexyl alcohol (Related); NSC83151; AI3-03962; F09; Pelargonalkohol; W-109141; nonanol; 74278_FLUKA; 74280_FLUKA; C14696; n-Nonan-1-ol; 3,5,5-trimethyl hexanol; 1-Nonanol; FEMA No. 2789; 3,5,5-Trimethyl n-hexanol; DSSTox_CID_9661; FEMA No. 3324; KB-234071; Nonalol; 143-08-8; Nonan-1-ol; WLN: Q9; NCGC00249200-01; Tox21_202260; Trimethyl-1-hexanol (Related); NSC 97226; EC 222-376-7; 201404-81-1; 3,5,5-Trimethyl-hexan-1-ol; AC1L2D4F; EINECS 205-583-7; BRN 0969213; 3,5,5-TRIMETHYL-1-HEXANOL, TECH; Fatty alcohol(C9); TC-116634; 3,5-Trimethylhexanol; InChI=1/C9H20O/c1-8(5-6-10)7-9(2,3)4/h8,10H,5-7H2,1-4H; DSSTox_RID_78799; DSSTox_GSID_29661; CHEBI:35986; AN-20219; 3452-97-9; NSC-83151; 1-Hexanol, 3,5,5-trimethyl-; NCGC00259809-01; 3,5,5-Trimethyl-1-hexanol, technical grade, 85%; (+/-)-3,5,5-Trimethyl-1-hexanol; HSDB 5145; NSC 5521; C9 alcohol; ANW-27889; Nonylol; AC1Q1R2G; AKOS009156969; 1-Hexanol,5,5-trimethyl-; I14-18838; 1-Hexanol,3,5,5-trimethyl-; 28473-21-4; MolPort-001-793-322; Nonylalkohol; Pelargonic alcohol; n-Nonyl alcohol; Trimethylhexyl alcohol; ACMC-1CT00; 3,5,5-Trimethyl-1-hexanol; AI3-22142; BODRLKRKPXBDBN-UHFFFAOYSA-N; NSC 83151; InChI=1/C9H20O/c1-2-3-4-5-6-7-8-9-10/h10H,2-9H2,1H; CTK4H2542; EPA Pesticide Chemical Code 492200; EINECS 222-376-7; 3,5,5 trimethyl hexanol; NCGC00257325-01; Alcohol C-9; NSC-97226; DS-6469; 3,5,5-Trimethyl-1-hexanol, >=85%; X6899; FT-0614410; ST24041166; AK129854; 3,5,5-Trimethylhexan-1-ol; LMFA05000625; NSC5521; CHEMBL3187919; NCIOpen2_001207; 140237-16-7; n-Nonanol; DTXSID7029661; Octyl carbinol; NSC97226; 131210_ALDRICH; 3,5-Trimethyl-1-hexanol; Nonyl alcohol; 3,5,5-Trimethylhexanol; SCHEMBL21394; EINECS 249-048-6; MFCD00036138; Caswell No. 892A | C9H20O | 144.25 | CC(CCO)CC(C)(C)C |
| TCMBANKIN034686 | [(2R)-2,3-dihydroxypropyl] acetate | acetic acid [(2R)-2,3-dihydroxypropyl] ester; ZINC02015933; [(2R)-2,3-dihydroxypropyl] ethanoate | 134.15 | ||
| TCMBANKIN034857 | 3(2,6,6-trimethyl-1-cyclohexenyl)-2-propenal | ||||
| TCMBANKIN035027 | (Z)-9- pentadecen-1-ol | C15H30O | CCCCCC=CCCCCCCCCO | ||
| TCMBANKIN035048 | MNN | (S)-(-)-mandelonitrile; (-)-mandelonitrile; InChI=1/C8H7NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10; (2S)-2-hydroxy-2-phenylacetonitrile; (S)-Mandelonitrile; (2S)-hydroxy(phenyl)acetonitrile; CHEBI:36941; l-mandelonitrile; (S)-Benzaldehyde cyanohydrin; (S)-MANDELIC ACID NITRILE; (2S)-2-hydroxy-2-phenyl-acetonitrile; (S)-HYDROXY(PHENYL)ACETONITRILE; C02615; (2S)-2-hydroxy-2-phenyl-ethanenitrile | C14H17NO6 | 295.29 | C1=CC=C(C=C1)C(C#N)O |
| TCMBANKIN035299 | Masri acid(hawthorn acid) | ||||
| TCMBANKIN035469 | Stearate | C18H35O2- | 283.5 g/mol | CCCCCCCCCCCCCCCCCC(=O)[O-] | |
| TCMBANKIN036134 | (Z, Z)-3,13- octadecadien-1-ol | C18H34O | 266.5 g/mol | CCCCC=CCCCCCCCCC=CCCO | |
| 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 |
| TCMBANKIN036814 | β-Amyrin | SCHEMBL14226156; beta-Amyrine; β- amyrin; beta-amyrin ; beta-amyrin; 12-oleanex-3beta-ol; NSC-527971 | 426.72 | ||
| TCMBANKIN036829 | ursolic acid | ursolicacid; U6753_SIGMA; AIDS-039057; AKOS022168209; Urs-12-en-28-oic acid, 3beta-hydroxy- (8CI); 77-52-1; s2370; 3beta-Hydroxyurs-12-en-28-oic acid; SMR000445681; NSC4060; MLS000728569; Ursolic acid; TOS-BB-0966; 3beta-Hydroxy-12-ursen-28-ic acid; (1S,2R,4R,6aS,6bR,8aR,10S,12aR,12bR,14bR)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,4a,5,6,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-1H-picene-4-carboxylic acid; ursolic acid ; BSPBio_000018; NSC 167406; H719; 89797_FLUKA; EINECS 201-034-0; Prunol; BPBio1_000020; (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid; AI3-03109; CHEBI:9908; ST056289; Ursolicacid; AC-8029; Urs-12-en-28-oic acid, 3-hydroxy-, (3beta)-; Ursolic acid (Malol); CCRIS 7123; BC216337; Urson; (3beta)-3-Hydroxyurs-12-en-28-oic acid; Prestwick3_000089; Malol; C08988; AKOS015965499; SCHEMBL1699371; MolPort-016-633-342; 209545-05-1; AS-13246; AIDS039057; NSC 4060 | C30H48O3 | 456.7 | CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)[O-] |
| TCMBANKIN036840 | protocatechuic acid | 3,4-Dihydroxybenzoic acid; MLS000737807; c0120; 4-Carboxy-1,2-dihydroxybenzene; InChI=1/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11; NSC 16631; ZB000710; Benzoic acid, 3,4-dihydroxy-; 4,5-dihydroxybenzoate; 3,4-dihydrobenzoic acid; DHB; DB03946; AC1N59J2; CCRIS 6291; AIDS082396; Protocatehuic acid; BRN 1448841; protocatechuicacid; 3,4-dihydroxybenzoate; SMR000528167; D-3487; EINECS 202-760-0; 4,5-Dihydroxybenzoic acid; C00230; Catechol-4-carboxylic Acid; 3,4-DHBA; Protocatechuic acid polymer; CHEBI:36241; 2buv; 4-10-00-01459 (Beilstein Handbook Reference); AIDS-082396; 99-50-3; A846038; AIDS002961; Oxidative polymer of protocatechuic acid; 37580_FLUKA; AIDS-002961; 1ykp; Benzoic acid, 3,4-dihydroxy- (9CI); NSC16631; 3,4-bis(oxidanyl)benzoate; CHEBI:36062; 3, 4-Dihydroxybenzoic acid; TULIP017459 | C18H14O8 | 358.299 | c12c(O[C@]([H])(c3c([H])c([H])c(O[H])c(O[H])c3[H])[C@@]1([H])C(=O)O[H])c(O[H])c([H])c([H])c2\C([H])=C([H])\C(O[H])=O |
| 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] |
| 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] |
| TCMBANKIN038323 | quinic acid | Cyclohexanecarboxylicacid, 1,3,4,5-tetrahydroxy-, (1a,3R,4a,5R); SCHEMBL12464756; Kinate; SCHEMBL13577075; 1,3,4,5-Tetrahydroxycyclohexane-carboxylic acid; quinate; quinicacid; Quinic acid; (3R)-1,3,4,5-tetrakis(oxidanyl)cyclohexane-1-carboxylic acid; Chinate; SCHEMBL14960616; (1R,3R,4S)-1,3,4,5-tetrahydroxycyclohexane-1-carboxylic acid; (3R)-1,3,4,5-tetrahydroxy-1-cyclohexanecarboxylic acid; SCHEMBL39555; A839299 | C7H12O6 | 192.167 | C1([H])(O[H])[C@@]([H])(O[H])C([H])([H])C(C(O[H])=O)(O[H])C([H])([H])[C@]1([H])O[H] |
| TCMBANKIN039554 | hexanoic acid | (C6-C12) Alkylcarboxylic acid; n-Hexoic acid; BRN 0773837; Hexanoyl DL-carnitine; AC1O52RE; hexanoicacid; 142-62-1; Hexanoic acid (natural); n-Hexanoic acid; CCRIS 1347; Hexacid 698; 153745_ALDRICH; Hexanoic acid; 13476-79-4; 8040-17-3; 51109-46-7; AI3-07701; WLN: QV5; VVPRQWTYSNDTEA-UHFFFAOYSA-N; 19455-00-6; (C5-C9) Monobasic acids; Pentylformic acid; Hexanoyl-d,l-carnitine; Capronic acid; Butylacetic acid; Kyselina kapronova [Czech]; 4-02-00-00917 (Beilstein Handbook Reference); C01585; 1-Pentanecarboxylic acid; UN2829; 3-hexanoyloxy-4-(trimethylazaniumyl)butanoate; Fatty acids, C6-12; (C6-C12)Alkylcarboxylic acid; W255912_ALDRICH; NSC8266; CAPROIC ACID; CH3-[CH2]4-COOH; LMFA01010006; HEXANOIC ACID (CAPROIC ACID); n-Caproic acid; EINECS 267-013-3; CHEBI:30776; Hexanoylcarnitine; 68603-84-9; 70248-25-8; 21529_FLUKA; HSDB 6813; 3-(hexanoyloxy)-4-(trimethylazaniumyl)butanoate; Carboxylic acids, C5-9; NSC 8266; NCIOpen2_005355; LMFA07070070; 1-Propanaminium,3-carboxy-N,N,N-trimethyl-2-[(1-oxohexyl)oxy]-, chloride (1:1); EINECS 205-550-7; SCHEMBL235082; 1-Hexanoic acid; Pentanecarboxylic acid; Acid C-6; Carboxylic acids, C6-18 and C6-18-unsatd. mono- and C8-15-di-; H12137_ALDRICH; W255904_ALDRICH; 16571-42-9; Hexylic acid; AIDS212980; Caproic acid [UN2829] [Corrosive]; FEMA No. 2559; 67762-36-1; n-Hexylic acid; Hexoic acid; Pentiformic acid; EINECS 274-509-3; 6418-78-6; AIDS-212980; 53896-26-7; CTK4C6070; EINECS 271-676-4; Hexanoic acid ester with (3-carboxy-2-hydroxypropyl)trimethylammonium hydroxide inner salt; CHEBI:70749; InChI=1/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8; O-hexanoylcarnitine; 1-Propanaminium, 3-carboxy-N,N,N-trimethyl-2-[(1-oxohexyl)oxy]-, inner salt; 3-(hexanoyloxy)-4-(trimethylammonio)butanoate | C6H12O2 | 116.158 | C(O[H])(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H] |
| TCMBANKIN040797 | azelaic acid | 8-carboxylatooctanoate; CJ-24076; 9-oxido-9-oxononanoate; AC1MWLWR; azelaate(2-); azelaicacid; 8-Carboxyoctanoate; CHEBI:78208; nonanedioate(2-); azelate; nonanedioate; azelaate; A805183 | C9H16O4 | 188.221 | 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(O[H])=O |
| 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 |
| TCMBANKIN041402 | chlorogenic acid | 3-methyl-1,4,5-tris(oxidanyl)cyclohexane-1-carboxylic acid; 4-prop-1-enylbenzene-1,2-diol; A821421; 4-prop-1-enylbenzene-1,2-diol; 1,3,4-trihydroxy-5-methyl-1-cyclohexanecarboxylic acid; chlorogenic acid ; Chlorogenic acid; chlorogenicacid | C16H18O9 | 354.309 | C1([H])([H])[C@](C(O[H])=O)(O[H])C([H])([H])[C@@]([H])(OC(=O)\C([H])=C([H])/c2c([H])c([H])c(O[H])c(O[H])c2[H])[C@]([H])(O[H])[C@@]1([H])O[H] |
| TCMBANKIN042117 | 3'-hydroxyaglaine b | C36H42N2O9 | |||
| TCMBANKIN042231 | amygdalin | (2R)-2-phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyacetonitrile; (2R)-2-phenyl-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxymethyl]-2-tetrahydropyranyl]oxy]acetonitrile; (2R)-2-phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-acetonitrile; ethane; 2-(hydroxymethyl)-6-[[6-(methoxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]methoxymethyl]oxane-3,4,5-triol; methanenitrile; methylbenzene; molecular hydrogen; (2R)-2-phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-ethanenitrile; C08325; CHEBI:17019; (2R)-2-phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-acetonitrile; 29883-15-6; STOCK1N-52529; (-)-D-mandelonitrile beta-D-gentiobioside; (2R)-[(6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy](phenyl)acetonitrile; A820093; SMP1_000103; Amygdalin; ethane; formonitrile; 2-(hydroxymethyl)-6-[[3,4,5-trihydroxy-6-(methoxymethyl)-2-oxanyl]methoxymethyl]oxane-3,4,5-triol; molecular hydrogen; toluene | C20H27NO11 | 457.43 | C1=CC=C(C=C1)C(C#N)OC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)O)O)O)O)O)O |
| TCMBANKIN043146 | 3'-hydroxy-4'-O-methylglabridin | C21H22O5 | 354.396 | C1(C([H])([H])[H])(C([H])([H])[H])C([H])=C([H])c(c(OC([H])([H])[C@]([H])(c2c(O[H])c(O[H])c(OC([H])([H])[H])c([H])c2[H])C3([H])[H])c3c([H])c4[H])c4O1 | |
| TCMBANKIN050326 | saponin | Saponin | C45H73NO15 | 868 | [C@]1([H])(O[H])[C@@]([H])(C([H])([H])O[H])O[C@@]([H])(O[C@]2([H])[C@@]([H])(O[C@@]3([H])O[C@@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]3([H])O[H])[C@]([H])(O[C@]4([H])C([H])([H])C(=C( [H])C([H])([H])[C@]5([H])[C@]6([H])C([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])([C@]([H])(C([H])([H])[H])[C@@]([H])(C([H])([H])C([H])([H])[C@]([H])(C([H])([H])[H])C7([H])[H])N78)[C@]8([H])C9( [H])[H])[C@]59[H])[C@]6(C([H])([H])[H])C([H])([H])C4([H])[H])O[C@]([H])(C([H])([H])O[H])[C@]2([H])O[H])[C@]([H])(O[H])[C@@]1([H])O[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] | |
| TCMBANKIN057915 | FUM | U-1149; 110-17-8; 2-Butenedioic acid (E)-; 4-02-00-02202 (Beilstein Handbook Reference); FC 33; Kyselina fumarova; maleic acid; Fumarsaeure; 2-Butenedioic acid (2E)-; 240745_ALDRICH; 2-Butenedioic acid, (E)-; WLN: QV1U1VQ-T; Lichenic acid; LS-500; NSC2752; AIDS-008707; CCRIS 1039; 03761_FLUKA; Lichenic acid (VAN); Caswell No. 465E; W248800_ALDRICH; 2-butenedioic acid, (2E)-; (2E)-2-butenedioic acid; 6915-18-0; Boletic acid; EPA Pesticide Chemical Code 051201; FEMA No. 2488; HSDB 710; Fumaric acid (NF); NCIOpen2_003792; Tumaric acid; 1,2-Ethenedicarboxylic acid, trans-; CHEBI:18012; trans-Butenedioic acid; trans-1,2-Ethylenedicarboxylic acid; FC 33 (acid); fumaric acid; 2-Butenedioic acid; C00122; MALEATE; Allomalenic acid; 110-16-7; AIDS008707; trans-2-Butenedioic acid; AI3-24236; 623158-97-4; But-2-enedioic acid; D02308; NCI60_002239; 1,2-Ethylenedicarboxylic acid, (E); FEMA Number 2488; F8509_SIGMA; NCGC00091192-01; NSC-2752; trans-but-2-enedioic acid; Butenedioic acid, (E)-; Usaf ek-p-583; E-2-Butenedioic acid; BRN 0605763; EINECS 203-743-0; (2E)-but-2-enedioic acid; 2-Butenedioic acid (2E)- (9CI); (E)-2-butenedioic acid; nchembio.2007.47-comp1; Kyselina fumarova [Czech]; BUTENE-1,4-DIOIC ACID; Allomaleic acid; NCIOpen2_004870; Fumaric acid (8CI); CHEBI:22958; cis-butenedioic acid; 2-(E)-Butenedioic acid; MAE; fumaric acid; maiyenic acid; Maleic anhydride, mono(castor oil) ester; Maleic acid [NA2215] [Corrosive]; H2male; AIDS-025527; 2-Butenedioic acid (2Z)-, monocastor oil alkyl esters; InChI=1/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1; CCRIS 1115; 2-Butenedioic acid, (Z)-; 2-Butenedioic acid (Z)- (9CI); 44742-89-4; NCGC00090970-01; (Z)-butenedioic acid; 2-Butenedioic acid (Z)-; 2-butenedioic acid, (2Z)-; Kyselina maleinova [Czech]; (Z)-2-BUTENEDIOIC ACID; cis-but-2-enedioic acid; 2-Butenedioic acid (2Z)- (9CI); ST5213949; WLN: QV1U1VQ-C; Maleic acid (8CI); NSC 25940; 1,2-Ethylenedicarboxylic acid, (Z); 2-Butenedioic acid (2Z)-; (2Z)-but-2-enedioic acid; AI3-01002; 4-02-00-02199 (Beilstein Handbook Reference); 63189_FLUKA; CHEBI:18300; Malezid CM; NSC25940; NA2215; 10237-70-4; AIDS025527; cis-2-Butenedioic acid; EINECS 203-742-5; Maleinic acid; C01384; Malenic acid; HSDB 666; Scotchbond Multipurpose Etchant; BRN 0605762; M0375_SIAL; cis-1,2-Ethylenedicarboxylic acid; Maleic acid [NA2215] [Corrosive]; Butenedioic acid, (Z)-; 68307-91-5; but-2-enoic acid; methanoic acid; A802157; fumaricacid; 2-butenoic acid; formic acid | C4H4O4 | 116.07 | C(=CC(=O)O)C(=O)O |
| TCMBANKIN057917 | OXL | ethane-1,2-dioic acid; CHEBI:16995; CCRIS 1454; EPA Pesticide Chemical Code 009601; Oxaalzuur; Caswell No. 625; Oxalic acid standard solution; NSC115893 (DILITHIUM); 35295_RIEDEL; AI3-26463; 68487_FLUKA; Oxalic acid (8CI); LMFA01170031; Ethanedioic acid (9CI); 553-91-3 (DILITHIUM); Ethandisaeure; 2847-15-6; Acide oxalique; 38250_RIEDEL; C00209; Ultraplast Activate S 52; ethanedioic acid; NSC 62774; Acide oxalique [French]; NCIOpen2_001042; InChI=1/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6; Oxalsaeure [German]; OXD; NCI-C55209; BRN 0385686; Oxalate standard for IC; 04621_FLUKA; Oxalsaeure; HSDB 1100; Acidum oxalicum; NCIOpen2_008831; 34287_RIEDEL; Kyselina stavelova; Acido ossalico; Aktisal; NCIOpen2_001202; AIDS-071020; Acido ossalico [Italian]; WLN: QVVQ; oxalic acid; 319201_ALDRICH; 216451-38-6; 658537_ALDRICH; 4-02-00-01819 (Beilstein Handbook Reference); 38255_RIEDEL; NCIOpen2_001022; EINECS 205-634-3; Kyselina stavelova [Czech]; Oxagel; AIDS071020; NSC62774; NCIOpen2_000770; 194131_ALDRICH; Aquisal; 241172_ALDRICH; 34285_RIEDEL; 35294_RIEDEL; Oxiric acid; 63504-28-9; 144-62-7; 75688_FLUKA; Oxalic acid solution; 97993-78-7; HOOCCOOH; Oxaalzuur [Dutch]; Ethanedionic acid; H2ox;oxalic acid;oxalicacid | C2H2O4 | 90.03 g/mol | C(=O)(C(=O)O)O |
| TCMBANKIN057920 | (Z)- aconitic acid | cis-aconitic acid;cis-1-propene-1,2,3-tricarboxylic acid; ST5308041; cis-Propene-1,2,3-tricarboxylic acid; (1Z)-prop-1-ene-1,2,3-tricarboxylic acid; Propene-1,2,3-tricarboxylic acid; 1-Propene-1,2,3-tricarboxylic acid, (Z)- (8CI)(9CI); 3-Carboxy-2-pentenedioic acid; (Z)-1-Propene-1,2,3-tricarboxylic acid; NSC 7616; 1,2,3-Propenetricarboxylic acid; CHEBI:32805; A3412_SIGMA; 1,2,3-PROPENETRICARBOXYLIC ACID,(TRANS); CCRIS 2507; HSDB 635; AI3-14615; 01590_FLUKA; EINECS 207-877-0; EINECS 209-564-4; (Z)-prop-1-ene-1,2,3-tricarboxylic acid; 3-Carboxyglutaconic acid; NSC 227901; NCI7616; InChI=1/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)/b3-1; FEMA No. 2010; C00417; 1-Propene-1,2,3-tricarboxylic acid, (1Z)-;ACONITATE, CIS | C6H6O6 | 174.11 g/mol | C(C(=CC(=O)O)C(=O)O)C(=O)O |
| TCMBANKIN057962 | AKG | nchembio816-comp3; .alpha.-Oxoglutaric acid; InChI=1/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10; C00026; 2OG; AI3-26938; alpha-keto-Glutaric acid; NSC-17391; ketoglutarate; Pentanedioic acid, 2-oxo- (9CI); 2-Oxopentanedioic acid; 27175-99-1; NCI60_001411; 2-ketoglutaric acid; Bis(L-arginin)-2-oxoglutarat; 2-KETOGLUTARATE; .alpha.-Ketoglutaric acid; NChemBio.2007.21-comp7; 4-oxopent-2-ynedioic acid; NSC17391; Oxoglutaric acid; NCIStruc2_000215; NCGC00013225; NSC 17391; nchembio856-comp1; NCI17391; Glutaric acid, 2-oxo-; Glutaric acid, 2-oxo- (8CI); 34410-46-3; 2-oxopentanedionic acid; NChemBio.2007.20-comp12; 4-ketopent-2-ynedioic acid; 2-oxopentanedionate; Alphaketoglutaric acid; 2-oxoglutaric acid; 997-43-3; 2-Oxo-1,5-pentanedioic acid; alpha-oxoglutarate; CHEBI:30915; alpha-Oxopentanedioic acid; NCGC00090946-01; GLUTARIC ACID, ALPHA KETO; 86248-59-1; EINECS 206-330-3; 328-50-7; 2-OXO-GLUTARIC ACID; alpha-ketoglutaric acid; 2-OXYGLUTARIC ACID; alpha-Oxoglutaric acid; Pentanedioic acid, 2-oxo-; K1750_SIAL; K1128_SIGMA; alpha-Ketoglutaric acid alpha; NCIStruc1_001710; STK002174; 2-oxoglutarate | C5H6O5 | 146.1 g/mol | C(CC(=O)O)C(=O)C(=O)O |
| TCMBANKIN057963 | succinic acid | NCGC00159372-02; AIDS017693; Bernsteinsaure; succ; nchembio856-comp9; SIN; Butanedioic acid diammonium salt; InChI=1/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8; Bernsteinsaeure; ST5213944; nchembio.2007.47-comp2; 4-02-00-01908 (Beilstein Handbook Reference); 623158-99-6; LMFA01170043; BRN 1754069; butanedioic acid; Succinic acid (8CI); acide butanedioique; Dihydrofumaric acid; Katasuccin; 110-15-6; WLN: QV2VQ; FMR; AI3-06297; EINECS 203-740-4; Kyselina jantarova [Czech]; Amber acid; 398055_SIAL; 1,4-Butanedioic acid; S3674_SIAL; succinicacid; Ethylene dicarboxylic acid; 1,4-BUTANEDIOIC ACID (SUCCINIC ACID); S7501_SIAL; NSC25949; Bernsteinsaure [German]; acide succinique; NSC 106449; HOOC-CH2-CH2-COOH; Butandisaeure; 1,2-Ethanedicarboxylic acid; Acidum succinicum; Asuccin; C00042; Wormwood acid; ethylenesuccinic acid; Wormwood; 14078_FLUKA; Butanedionic acid; NSC106449; W502707_ALDRICH; W502715_ALDRICH; NCGC00159372-03; AIDS-017693; spirit of amber; A 12084; CHEBI:15741; Butanedioic acid (9CI); S9512_SIGMA; 14079_FLUKA; HSDB 791; Amber acid; amber acid | C4H6O4 | 118.09 g/mol | C(CC(=O)O)C(=O)O |
| TCMBANKIN057969 | Azelex | 2,4 azelaic acid; NCGC00093565-03; Azelaic acid [USAN:INN]; Azelaic acid; NCGC00093565-04; KBio1_000532; 458317_ALDRICH; Acide azelaique [French]; Azelaic acid, technical grade; NSC 19493; SH-441; AI3-06299; Azelaic acid (USAN); Finacea; Emerox 1110; 1,9-Nonanedioic acid; 27825-99-6; NCGC00093565-02; KBio2_005573; Spectrum4_000401; A96150_ALDRICH; BRN 1101094; AZ1; Heptanedicarboxylic acid; DivK1c_000532; EU-0100051; ZK 62498; Lopac-246379; NCGC00093565-06; D03034; SPBio_001089; Acido azelaico [Spanish]; NINDS_000532; 123-99-9; Nonanedioic acid; 32733-99-6; LMFA01170054; AIDS002603; Polyazelaic anhydride; SMR000059164; BSPBio_001756; NCGC00014993-01; Acidum azelaicum [Latin]; Poly(azelaic anhydride); 4-02-00-02055 (Beilstein Handbook Reference); AIDS-002603; Lepargylic acid; AGN-191861; KBioGR_000662; C08261; LS-22779; SDCCGMLS-0066619.P001; KBio2_000437; KBioSS_000437; Skinoren; Spectrum2_000995; Azelaic polyanhydride; 246379_ALDRICH; 26776-28-3; 1,7-Heptanedicarboxylic acid; MLS000069659; Spectrum3_000278; Anchoic acid; NSC19493; Emerox 1144; Spectrum5_001304; Azelaic acid polyanhydride; EINECS 204-669-1; SPECTRUM1500648; KBio3_001256; KBio2_003005; Spectrum_000057; Lopac0_000051; Finacea (TN); IDI1_000532; ZK-62498; Nonanedioic acid, homopolymer; Finevin; Skinorem; Azelex (TN) | C9H16O4 | 188.22 g/mol | C(CCCC(=O)O)CCCC(=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 |
| 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 |
| TCMBANKIN058097 | kojic acid;KOJ | kojicacid;SMP1_000171; Spectrum2_001828; TNP00261; 5-Hydroxy-2-hydroxymethyl-4H-4-pyranone; C14516; ACon1_000622; NINDS_000923; NCGC00017325-01; ZINC00031978; K3125_SIGMA; 5-18-02-00516 (Beilstein Handbook Reference); KBio2_000671; DivK1c_000923; NSC 1942; KBioGR_001002; KBio3_002508; Spectrum5_001085; SBB005397; Spectrum_000191; NCGC00142361-01; KBioSS_000671; 5-hydroxy-2-methylol-pyran-4-one; KBio2_005807; AIDS009875; Spectrum4_000571; AIDS-009875; AI3-02549; 5-Hydroxy-2-hydroxymethyl-4-pyrone; 5-Hydroxy-2-(hydroxymethyl)-4-pyrone; PYRAN-4-ONE, 5-HYDROXY-2-(HYDROXYMETHYL); 123712-78-7; KBio2_003239; 4H-Pyran-4-one, 5-hydroxy-2-(hydroxymethyl)-; Spectrum3_001704; 5-Hydroxy-2-(hydroxymethyl)-4H-pyran-4-one; EINECS 207-922-4; SPBio_001875; KBio1_000923; 5-hydroxy-2-(hydroxymethyl)pyran-4-one; CHEBI:43572; 5-hydroxy-2-(hydroxymethyl)-4-pyranone; Kojic acid; CCRIS 4131; NSC1942; WLN: T6O DVJ B1Q EQ; BRN 0120895; nchembio.78-comp13; 2-(Hydroxymethyl)-5-hydroxy-4H-pyran-4-one; 2-Hydroxymethyl-5-hydroxy-gamma-pyrone; IDI1_000923; MEGxm0_000388; Oprea1_038773; 60890_FLUKA; 501-30-4; BSPBio_003288 | C6H6O4 | 142.11 g/mol | C1=C(OC=C(C1=O)O)CO |
| TCMBANKIN058114 | trans-caffeic acid | 3-(3,4-dihydroxy-phenyl)-acrylic acid; caffeic acid; Caffeate; Lopac-C-0625; 71693-97-5; DivK1c_006624; KBio2_007302; (Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; NCGC00015206-02; CAS-3331-39-5; 60020_FLUKA; AI3-63211; 3-(3,4-Dihydroxyphenyl)-2-propenoic acid polymer; (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; NSC623438; 4-(2'-Carboxyvinyl)-1,2-dihydroxybenzene; KBio2_004734; (2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; CHEMBL1320034; AIDS-002287; AIDS002287; 501-16-6; CHEBI:36281; Prestwick1_000902; KBio1_001568; 3-(3,4-Dihydroxyphenyl)-2-propenoic acid; AKOS000273846; OR1165; SMR000058214; Spectrum2_001612; 3,4-dihydroxycinnamate; (Z)-3-(3,4-dihydroxyphenyl)acrylic acid; Caffeicacid; KOP; AC1NO658; CCRIS 847; Caffeic acid dehydrogenation homopolymer; SPECTRUM1503987; Spectrum4_001694; SCHEMBL3682144; NCGC00017364-01; NCGC00022654-08; 4-(2-Carboxyethenyl)-1,2-dihydroxybenzene; 78734C5A-1281-44D4-B8A0-A3188AD437E3; cis-Caffeic acid; 3-(3,4-dihydroxyphenyl)acrylic acid; Cinnamic acid, 3,4-dihydroxy-; KBioGR_001988; 3,4-Dihydroxybenzeneacrylic acid; 3,4-dihydroxycinnamic acid; trans-caffeic acid; AIDS-026339; NCGC00015206-01; HSDB 7088; ZINC4482687; (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; 3-(3,4-dihydroxyphenyl)prop-2-enoate; Isocaffeic acid; SBB006475; InChI=1/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2; NCGC00017364-02; EU-0100208; C01197; MolPort-001-759-162; KBioSS_002166; Caffeic acid pure; caffeic acid ; trans-Caffeate; (2E)-3-(3,4-dihydroxyphenyl)acrylic acid; NSC 57197; (2E)-3-(3,4-Dihydroxyphenyl)-2-propenoic acid; Spectrum_001686; 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, (E)-; KBio2_002166; Caffeic acid, cis-; 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-; 3,4-Dihydroxybenzeneacrylate; 3-(3,4-Dihydroxy phenyl)-2-propenoic acid; 4361-87-9; 3,4-Dihydroxy-trans-cinnamate; caffeicacid; AR-360/40806927; EINECS 206-361-2; 60018_FLUKA; Caffeic acid polymer; (E)-3-(3,4-dihydroxyphenyl)acrylic acid; NCGC00022654-04; ZX-AL002121; C0625_SIGMA; SDCCGMLS-0002982.P003; 3-(3,4-Dihydroxyphenyl)-2-propenoic acid, homopolymer; SPBio_001643; 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)- (9CI); NCGC00017364-03; 3-(3,4-dihydroxyphenyl)prop-2-enoic acid; AC1LU7RL; SPBio_002943; CHEBI:16433; AIDS026339; 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, homopolymer; CHEBI:17395; TNP00311; SpecPlus_000528; Prestwick0_000902; MLS000069738; 3,4-dihydroxy-cinnamic acid; 3-(3,4-Dihydroxyphenyl)propenoic acid; NCI60_004400; NSC57197; Caffeic; Lopac-C-0625; NCGC00015206-01; Caffeic acid; cis-Caffeic acid; NCGC00017364-01; (Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; C01481; 331-39-5; NCGC00015206-02; CAS-3331-39-5; 3,4-Dihydroxycinnamic acid; CHEBI:17395; (2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; TNP00311; (Z)-3-(3,4-dihydroxyphenyl)acrylic acid; Caffeate; 1- coffee acid | C9H8O4 | 180.16 g/mol | C1=CC(=C(C=C1C=CC(=O)O)O)O |
| TCMBANKIN058135 | Polystachoside | quercetin-3-xyloside;4H-1-Benzopyran-4-one, 3-(alpha-L-arabinofuranosyloxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-; 572-30-5; Avicularin; 3-[[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-chromenone; 3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromen-4-one; 4H-1-Benzopyran-4-one, 3-(.alpha.-L-arabinofuranosyloxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-; 3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromone; 3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromen-4-one; 158560-11-3; 3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one; 3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]oxy-2-(3,4dihydroxyphenyl)-5;hydroxy-7;methoxy;chromen-4;one;Polystachoside;avicularin;aricularin;3-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromen-4-one; 3-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one; 3-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromen-4-one; polystachoside; 3-[(2R,3S,4S,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromone; 3-[[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-chromenone | C20H18O11 | 434.35 | C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(O4)CO)O)O)O)O |
| TCMBANKIN058178 | Daphnetol | 5-18-03-00211 (Beilstein Handbook Reference); AIDS-026334; HSCI1_000053; NSC 633563; EU-0000106; ZINC00057753; AIDS026334; 2H-1-Benzopyran-2-one, 7,8-dihydroxy- (9CI); KBio1_001904; 7,8-Dihydroxy-2H-1-benzopyran-2-one; KBioGR_001808; 7,8-Dihydroxycoumarin; 7,8-dihydroxy-coumarin; 7,8-dihydroxychromen-2-one; NCGC00015349-01; D5564_SIGMA; Daphnetin; CHEBI:17313; Oprea1_044324; 486-35-1; NSC633563; Spectrum3_000784; KBio3_001708; COUMARIN, 7,8-DIHYDROXY-; 7,8-dihydroxy-2H-chromen-2-one; Lopac0_000330; ST5308908; 2H-1-Benzopyran-2-one, 7,8-dihydroxy-; Spectrum4_001254; BSPBio_002488; C03093; Lopac-D-5564; DivK1c_006960; EINECS 207-632-8; 630764_ALDRICH; BRN 0009372; EU-0100330; SpecPlus_000864; InChI=1/C9H6O4/c10-6-3-1-5-2-4-7(11)13-9(5)8(6)12/h1-4,10,12; 7,8-dihydroxy-2-chromenone; 4,8-Dihydroxycoumarin; AC-5538; ZINC21992842; 4,8-Dihydroxy-2H-chromen-2-one; BC216210; 7,8-dihydroxycoumarin; AKOS006290013; AK516453; daphnetin | C9H6O4 | 178.14 g/mol | C1=CC(=C(C2=C1C=CC(=O)O2)O)O |
| 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 |
| 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 |
| TCMBANKIN058272 | esculetin | AIDS-014709; CCG-38509; Cichoriin aglycon; KBioSS_001646; KUC108669N; NSC-26428; ZINC00057908; SM2XD6V944; HMS1570L22; ILEDWLMCKZNDJK-UHFFFAOYSA-N; NSC26428; Esculetol; ZX-AN021876; BPBio1_000968; MolPort-000-709-311; 6,7-Dihydroxycoumarin, 8CI; FCH1117729; ST24044991; 6,7-dihydroxy-2-chromenone; Coumarin, 6,7-dihydroxy-; NCGC00094873-01; KBio1_001374; NCGC00016425-01; Prestwick1_000940; AS-11863; LS-55161; CHEBI:490095; 2H-1-BENZOPYRAN-2-ONE,6,7-DIHYDROXY; RTR-013104; KSC-11-243-1; 7H-1-Benzopyran-7-one, 2,6-dihydroxy-; Esculetol); W-2566; DTXSID3075383; KS-0000017Z; 2,6-Dihydroxy-7H-chromen-7-one; NCGC00016425-04; Cichoriin aglucon; Spectrum5_000512; CD-051; ZX-AFC000486; BG01504928; KSC148K7L; SR-01000721907-2; HMS1921M14; ACM305356; E0386; Aesculetin (cichorigenin; NSC 26428; Aesculetin; s4711; EBD2197580; NCGC00016425-05; NCGC00094873-02; AK591206; AN-44203; BRN 0152788; 6,7-dihydroxy-2H-chromen-2-one; Esculatin; KBio2_006782; AB00489955; GTPL5180; SCHEMBL24641; 6,7-Dihydroxycoumarin; ACMC-20luwt; SR-01000721907; Esculin aglycon; SPECTRUM1500899; MFCD00006874; Cichorigenin; BIB6051; UNII-SM2XD6V944; I14-1622; BDBM34571; ST5306833; CHEMBL244743; TR-013104; MLS000069479; CAS-305-01-1; 6,7-Dihydroxy-2-chromenone; SMR000059055; C09263; 6,7-dihydroxychromen-2-one; esculetin ; HMS3373K09; DivK1c_006430; 3.05E+13; E-3401; HMS2233G24; InChI=1/C9H6O4/c10-6-3-5-1-2-9(12)13-8(5)4-7(6)11/h1-4,10-11; SpecPlus_000334; Spectrum4_001886; MCULE-4460039316; Esculetin; AC1NQYFH; Prestwick2_000940; A820407; Prestwick3_000940; Oprea1_719746; 6,7-bis(oxidanyl)chromen-2-one; Asculetine; ST079379; KBioGR_002416; AIDS014709; AC-18400; AKOS030559695; 91753-33-2; CJ-00486; KBio3_001584; FT-0620854; SMP2_000093; 305-01-1; AB0010898; 5-18-03-00202 (Beilstein Handbook Reference); CE0046; KBio2_001646; BSPBio_000880; Spectrum2_000586; 6,7-Dihydroxy-2H-1-benzopyran-2-one; SC-45867; DB-014626; CC-22332; BSPBio_002364; CTK3G3670; SDCCGMLS-0066669.P001; ALBB-023362; SPBio_000432; AC1Q7980; 6,7-Dihydroxy-2-benzopyrone; Prestwick0_000940; AJ-09788; C-06350; NCGC00016425-03; AK114506; 6,7-Dihydroxycoumarin, 98%; ZINC57908; EINECS 206-161-5; cid_5281416; BRD-K58149231-001-06-9; 2H-1-Benzopyran-2-one, 6,7-dihydroxy-; bmse000986; 4CN-0872; 6,7-dihydroxy-1-benzopyran-2-one; BN0888; HMS2097L22; Bio-0588; SPBio_003049; C9H6O4; E-3400; KBio2_004214; Spectrum_001166; Esculetin, analytical standard; 2H-1-Benzopyran-2-one, 6,7-dihydroxy- (9CI); N1764; 6,7-DIHYDROXYCOUMARIN; Coumarin, 6,7-dihydroxy- Esculetin; J10146; Esculetin, European Pharmacopoeia (EP) Reference Standard; 246573_ALDRICH; ZB002263; Esculin aglucon; 6,7-dihydroxy-coumarin; KB-50565; NCI60_002119; ANW-43483; 6,7-Dihydroxy-2H-chromen-2-one; D0YZ5G; NCGC00016425-06; Jsp005751; AX8020100; AKOS000276955; NCGC00016425-02; CCRIS 7065; 6,7-Dihydroxy-2H-chromen-2-one #; Spectrum3_000752; 6, 7-dihydroxycoumarin; aesculetin; 6,7-dihydroxycoumarin; 6,7-dihydroxy coumarin; CCG-38509; Cichoriin aglycon; KBioSS_001646; KUC108669N; NSC-26428; SM2XD6V944; HMS1570L22; ILEDWLMCKZNDJK-UHFFFAOYSA-N; NSC26428; Esculetol; ZX-AN021876; BPBio1_000968; MolPort-000-709-311; 6,7-Dihydroxycoumarin, 8CI; FCH1117729; ST24044991; Coumarin, 6,7-dihydroxy-; NCGC00094873-01; KBio1_001374; NCGC00016425-01; Prestwick1_000940; AS-11863; LS-55161; CHEBI:490095; 2H-1-BENZOPYRAN-2-ONE,6,7-DIHYDROXY; RTR-013104; KSC-11-243-1; 7H-1-Benzopyran-7-one, 2,6-dihydroxy-; Esculetol); W-2566; DTXSID3075383; KS-0000017Z; 2,6-Dihydroxy-7H-chromen-7-one; NCGC00016425-04; Cichoriin aglucon; Spectrum5_000512; CD-051; ZX-AFC000486; BG01504928; KSC148K7L; SR-01000721907-2; HMS1921M14; ACM305356; E0386; Aesculetin (cichorigenin; NSC 26428; Aesculetin; s4711; EBD2197580; NCGC00016425-05; NCGC00094873-02; AK591206; AN-44203; BRN 0152788; Esculatin; KBio2_006782; AB00489955; GTPL5180; SCHEMBL24641; ACMC-20luwt; SR-01000721907; Esculin aglycon; SPECTRUM1500899; MFCD00006874; Cichorigenin; BIB6051; UNII-SM2XD6V944; I14-1622; BDBM34571; CHEMBL244743; TR-013104; MLS000069479; CAS-305-01-1; 6,7-Dihydroxy-2-chromenone; SMR000059055; C09263; 6,7-dihydroxychromen-2-one; HMS3373K09; DivK1c_006430; 3.05E+13; E-3401; HMS2233G24; InChI=1/C9H6O4/c10-6-3-5-1-2-9(12)13-8(5)4-7(6)11/h1-4,10-11; SpecPlus_000334; Spectrum4_001886; MCULE-4460039316; Esculetin; AC1NQYFH; Prestwick2_000940; A820407; Prestwick3_000940; Oprea1_719746; 6,7-bis(oxidanyl)chromen-2-one; Asculetine; ST079379; KBioGR_002416; AC-18400; AKOS030559695; 91753-33-2; CJ-00486; KBio3_001584; FT-0620854; SMP2_000093; 305-01-1; AB0010898; 5-18-03-00202 (Beilstein Handbook Reference); CE0046; KBio2_001646; BSPBio_000880; Spectrum2_000586; 6,7-Dihydroxy-2H-1-benzopyran-2-one; SC-45867; DB-014626; CC-22332; BSPBio_002364; CTK3G3670; SDCCGMLS-0066669.P001; ALBB-023362; SPBio_000432; AC1Q7980; 6,7-Dihydroxy-2-benzopyrone; Prestwick0_000940; AJ-09788; C-06350; NCGC00016425-03; AK114506; 6,7-Dihydroxycoumarin, 98%; ZINC57908; EINECS 206-161-5; cid_5281416; BRD-K58149231-001-06-9; 2H-1-Benzopyran-2-one, 6,7-dihydroxy-; bmse000986; 4CN-0872; 6,7-dihydroxy-1-benzopyran-2-one; BN0888; HMS2097L22; Bio-0588; SPBio_003049; C9H6O4; E-3400; KBio2_004214; Spectrum_001166; Esculetin, analytical standard; 2H-1-Benzopyran-2-one, 6,7-dihydroxy- (9CI); N1764; 6,7-DIHYDROXYCOUMARIN; Coumarin, 6,7-dihydroxy- Esculetin; J10146; Esculetin, European Pharmacopoeia (EP) Reference Standard; ZB002263; Esculin aglucon; 6,7-dihydroxy-coumarin; KB-50565; NCI60_002119; ANW-43483; 6,7-Dihydroxy-2H-chromen-2-one; D0YZ5G; NCGC00016425-06; Jsp005751; AX8020100; AKOS000276955; NCGC00016425-02; CCRIS 7065; 6,7-Dihydroxy-2H-chromen-2-one #; Spectrum3_000752 | C9H6O4 | 178.14 g/mol | C1=CC(=O)OC2=CC(=C(C=C21)O)O |
| TCMBANKIN058293 | BOX | FEMA No. 2131; Benzenemethanoic acid; Retardex; Caswell No. 081; LS-280; Benzeneformic acid; benzoic acid; 1863-63-4 (AMMONIUM SALT); E 210; 65-85-0; 109479_SIAL; benzenecarboxylic acid; Benzoic acid (TN); NSC7918 (AMMONIUM SALT); AI3-03710; WLN: QVR; BEZ; 582-25-2 (POTASSIUM SALT); Kyselina benzoova; 33047_RIEDEL; C00180; Flowers of benzoin; HSDB 704; W213128_ALDRICH; ST5213864; nchembio.2007.22-comp2; C03096; D00038; B8027_SIGMA; Kyselina benzoova [Czech]; InChI=1/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9; EPA Pesticide Chemical Code 009101; Benzoesaeure [German]; Benzoesaeure; 18102_RIEDEL; Benzoic acid [USAN:JAN]; W213101_ALDRICH; 8013-63-6; Dracylic acid; Unisept BZA; AIDS-018010; phenylformic acid; Benzoic acid (JP15/USP); 47849_SUPELCO; Retarder BA; Aromatic hydroxy acid; B2670_SIGMA; CHEBI:30746; B2920_SIGMA; Mettler Toledo Calibration substance ME 18555, Benzoic acid; CCRIS 1893; Benzoesaeure GV; Acido benzoico [Italian]; Benzoic acid (natural); NSC149; Benzoic acid-ring-UL-14C; Benzoesaeure GK; Acide benzoique; Flowers of benjamin; Benzoic acid, tech.; AI3-0310; HA 1 (acid); Salvo liquid; Acide benzoique [French]; 12353_FLUKA; Tenn-Plas; Carboxybenzene; 242381_SIAL; Salvo, liquid; AIDS018010; Phenylcarboxylic acid; NCGC00091886-01; Solvo powder; 427608_ALDRICH; Benzoic acid (7CI,8CI,9CI); 33045_RIEDEL; HA 1; 73983_FLUKA; Solvo, powder; Benzoate (VAN); NSC 149; EINECS 200-618-2;benzenecarboxylic acid | C7H6O2 | 122.12 | C1=CC=C(C=C1)C(=O)O |
| TCMBANKIN058306 | cinnamic acid | Cinnamic acid, (Z)-; trans-beta-Carboxystyrene; (Z)-3-phenylprop-2-enoate; Cinnamylic acid; trans-Zimtsaeure; Benzenepropenoic acid; Zimtsaeure; cinnamic acid ; 3-phenylprop-2-enoic acid; C80857_ALDRICH; 102-94-3; 133760_ALDRICH; AIDS-017619; tert-.beta.-Phenylacrylic acid; BRN 1905952; STK286093; InChI=1/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11; CCRIS 3190; NSC174025; 3-Phenylpropenoic acid; CHEBI:35700; W228818_ALDRICH; cinnamicacid; (E)-3-Phenyl-2-propenoic acid; 4-09-00-02002 (Beilstein Handbook Reference); NSC623441; AC1OAGPW; 140-10-3; Benzylideneacetic acid; NSC44010; Zimtsaeure [German]; 2-Propenoic acid, 3-phenyl-, (E)-; 3-Phenyl-2-propenoic acid; NSC9189; 2-Propenoic acid, 3-phenyl-, (Z)-; trans-3-Phenylacrylic acid; C10438; W228826_ALDRICH; Cinnamic acid, (E)-; WLN: QV1U1R; NCGC00165979-01; NSC 44010; CHEBI:27386; (2Z)-3-phenylacrylate; trans-Cinnamic acid; (Z)-Cinnamic acid; (2E)-3-phenylprop-2-enoic acid; Acidum cinnamylicum; (2E)-3-phenyl-2-propenoic acid; 621-82-9; cis-.beta.-Carboxystyrene; PHENYLETHYLENECARBOXYLIC ACID; EINECS 210-708-3; 2-Propenoic acid, 3-phenyl-; 3-Phenylacrylic acid; CHEBI:35697; EINECS 205-398-1; cis-Cinnamic acid; BRN 0507757; C00423; (2Z)-3-phenylprop-2-enoate; Kyselina skoricove [Czech]; Phenylacrylic acid; Cinnamic acid; Cinnamic acid (natural); (E)-3-phenylacrylic acid; cis-cinnamate; AI3-00891; (2E)-3-phenylacrylic acid; Allocinnamic acid; (E)-3-phenylprop-2-enoic acid; (E)-Cinnamic acid; beta-phenylacrylic acid; AIDS017619; trans-Cinnamate; trans-.beta.-Carboxystyrene; trans-3-Phenyl-2-propenoic acid; 96340_FLUKA; FEMA No. 2288; trans-3-Phenylpropensaeure; NSC 9189; Isocinnamic acid; AI3-23709; cis-Cinnamic acidanion; E-cinnamicacid; E-cinnamic acid; E- cinnamicacid; 3-Phenylpropenoic acid | C9H8O2 | 148.16 | C1=CC=C(C=C1)C=CC(=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 |
| TCMBANKIN058330 | phenylacetic acid | 2-phenylethanoate; 29446-EP2298765A1; 29446-EP2311842A2; 29446-EP2298764A1; BDBM36183; phenylacetate(1-); 2-phenylacetate; 29446-EP2275420A1; AC1N9FQQ; AKOS024258138; WLJVXDMOQOGPHL-UHFFFAOYSA-M; phenylacetate anion; 29446-EP2295055A2; c0211; ZB011530; 29446-EP2305671A1; phenylacetic acid anion; 29446-EP2305642A2; phenylacetate; 29446-EP2298777A2; AB01275449-01; CHEBI:18401; A804964; 29446-EP2289876A1; Benzeneacetate; 29446-EP2298748A2; 29446-EP2311453A1; 29446-EP2295416A2; phenylaceticacid; benzyl formate; phenyl acetate | C8H7O2- | 135.14 g/mol | C1=CC=C(C=C1)CC(=O)[O-] |
| TCMBANKIN058351 | phenethyl alcohol | 12472-EP2311801A1; CHEBI:49000; .beta.-Fenylethanol; ACMC-1AZIH; HMS2093H05; ML9LGA7468; Phenylethyl alcohol; Q-200318; Methanol, benzyl-; BC213746; b-pea; Mellol; NSC 406252; DSSTox_CID_6342; SC-46713; CAS_60-12-8; 47427-EP2374783A1; 196135-EP2277872A1; 66877-EP2298772A1; beta-Phenylethyl alcohol; 1321-27-3; AC1Q1HG6; SR-01000763553-2; phenyl-ethanol; KB-59529; .beta.-Fenethylalkohol; .beta.-Hydroxyethylbenzene; DSSTox_GSID_26342; beta-Phenylethanol; AC-18484; 47427-EP2308877A1; 66877-EP2270505A1; AKOS000249688; NCGC00257347-01; ANW-13578; SCHEMBL1838; Benzeneethanol; Phenethyl alcohol; FEMA 2858; I01-4509; .beta.-Phenylethanol; NSC-759116; 2-PHENYLETHANOL; LS-2335; AK-59815; Z234896351; 2-Phenylethanol, 98% 250g; BDBM85807; Benzyl carbinol; 2-PEA; benzene-ethanol; Benzenethanol; 12472-EP2316826A1; 2-PhenyIethanol; Phenethylalcohol; 66877-EP2292612A2; AB00698274_05; AC1L1LP9; Phenylethyl Alcohol, Pharmaceutical Secondary Standard; Certified Reference Material; 37330-EP2284157A1; Phenyl ethyl alcohol; 2-phenyl-1-ethanol; AN-23631; .beta.-PEA; FT-0613332; 2-phenyl ethanol; NCGC00166215-03; AC1Q7CJQ; Phenethyl alcohol, 8CI, BAN; MLS001066349; .beta.-Phenethanol; 0DE4CADC-AB8A-4038-BD6F-EBD009885652; DB02192; beta-Fenylethanol; NSC-406252; RTR-037232; 66877-EP2295406A1; HMS2233H06; NCGC00258874-01; EC 200-456-2; Pharmakon1600-01505398; S992; NCGC00166215-01; SR-01000763553; .beta.-Phenylethyl alcohol; NE10237; SBI-0206858.P001; EBD2219942; BRN 1905732; UNII-ML9LGA7468; 66877-EP2308839A1; CS-B1821; SBB040879; PHENYLETHYL, B- ALCOHOL; NSC759116; P0084; 47427-EP2311834A1; AS00558; Tox21_201322; EINECS 200-456-2; .beta.-P.E.A.; MCULE-8439044075; NSC_6054; 53355-62-7; Ethanol, 2-phenyl-; 37330-EP2311802A1; NCGC00166215-02; KS-00000WSD; beta -hydroxyethylbenzene; Tox21_113544; ST50214476; Phenylethyl alcohol (USP); 37330-EP2311803A1; MolPort-000-872-041; 47427-EP2295427A1; DTXSID9026342; Benzeneethanol, 9CI; .beta.-Phenethyl alcohol; Phenylethyl alcohol [USP]; 196135-EP2272973A1; NSC406252; FEMA Number 2858; Phenyl Ethanol(Natural); Benzyl-Methanol; WRMNZCZEMHIOCP-UHFFFAOYSA-N; STL281950; NCGC00166215-05; AC1Q7CJR; 47427-EP2295426A1; 2-Phenylethanol, >=99.0% (GC); Phenylethyl alcohol, United States Pharmacopeia (USP) Reference Standard; 2-Phenylethyl alcohol; ZB015067; Caswell No. 655C; HSDB 5002; WLN: Q2R; Phenylethanol; beta-Fenylethanol [Czech]; beta-Fenethylalkohol [Czech]; Tox21_113544_1; STOCK1N-73254; EN300-19347; KSC237A2B; Rose oil (Salt/Mix); 2-hydroxy-1-phenylethyl; Phenylethyl, beta- alcohol; 2-Hydroxyethylbenzene; 37330-EP2371814A1; 2-Phenethyl alcohol; 47427-EP2305673A1; 2-Phenylethanol, USP; MFCD00002886; CAS-60-12-8; TR-037232; Phenethyl alcohol, >=99%, FCC, FG; 196135-EP2272972A1; C05853; A832606; 2-Phenethanol; 66877-EP2281823A2; W6811; Benzylmethanol; CHEMBL448500; beta-PEA; bmse000659; EPA Pesticide Chemical Code 001503; 2-PHENYL-ETHANOL; PEL; 2-Phenylethanol, 99%; 4-06-00-03067 (Beilstein Handbook Reference); 1-Phenyl-2-ethanol; AI3-00744; D00192; beta-Fenethylalkohol; Hydroxyethylbenzene; Tox21_303383; 12472-EP2372017A1; Benzylcarbinol; betaphenylethyl alcohol; 12472-EP2287158A1; FEMA No. 2858; 2-(2-Hydroxyethyl)benzene; 2-Phenylethan-1-Ol; Benzyl ethyl alcohol; Phenethanol; DSSTox_RID_78104; F0001-1575; Phenethyl alcohol, natural, >=99%, FCC, FG; CCG-213419; b-Hydroxyethylbenzene; HMS3374P04; ZINC895934; Phenylethyl alcohol, USAN; InChI=1/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H; SMR000059156; RL04267; MLS001336026; Phenethyl alcohol (natural); 1960/12/8; 66877-EP2298731A1 | C8H10O | 122.16 g/mol | C1=CC=C(C=C1)CCO |
| TCMBANKIN058355 | Aromatic alcohol | NSC 8044; Aromatic primary alcohol; HSDB 46; alpha-hydroxytoluene; benzyl alcohol; AIDS009274; AIDS-009274; CCRIS 2081; Alcohol bencilico [INN-Spanish]; (Hydroxymethyl)benzene; W213705_ALDRICH; AI3-01680; FEMA No. 2137; 4-06-00-02222 (Beilstein Handbook Reference); Hydroxytoluene; benzenemethanol; Benzyl alcohol (JP15/NF/INN); 24122_RIEDEL; 442481_SUPELCO; Phenolcarbinol; NCGC00091865-01; InChI=1/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H; Euxyl K 100; .alpha.-Toluenol; BENZYL-ALCOHOL; Caswell No. 081F; BRN 0878307; Benzoyl alcohol; C00556; Benzal alcohol; 402834_SIAL; 100-51-6; 1336-27-2; LS-307; Phenylcarbinolum; Methanol, phenyl-; 305197_ALDRICH; NSC8044; c0278; Benzyl alcohol (natural); 185532-71-2; Benzenecarbinol; hydroxymethylbenzene; C03485; Alcool benzilico [DCIT]; NCI-C06111; TOLUENE,ALPHA-HYDROXY; 108006_ALDRICH; Benzylalkohol; alpha-Toluenol; 13160_FLUKA; Benzyl alcohol [USAN:INN:JAN]; EINECS 202-859-9; CHEBI:17987; Alcoholum benzylicum [INN-Latin]; EPA Pesticide Chemical Code 009502; phenylcarbinol; 34460_RIEDEL; .alpha.-Hydroxytoluene; Benzylicum; D00077; W213713_ALDRICH; alcoholum benzylicum; benzylalcohol; phenylmethanol; Phenylmethyl alcohol; benzylic alcohol; Alcool benzylique; Alcool benzylique [INN-French];benzyl alcohol;WLN: Q1R | C7H8O | 108.14 g/mol | C1=CC=C(C=C1)CO |
| TCMBANKIN058364 | IPH | NCI-C50124; Phenol, liquid; Baker's P and S Liquid and Ointment; 48556_SUPELCO; Un 2812 (solution); Carbolic oil; 16018_RIEDEL; P4557_SIAL; AI3-01814; 52463_FLUKA; UN2821; Phenol, sulfurated; NSC 36808; (14C)Phenol; Phenic; 242322_SIAL; Fenolo; Phenol, chloro derivs.; 185450_SIAL; Paoscle (TN); P4682_SIAL; Fenosmoline; Phenole [German]; Phenole; PhOH; 328111_SIAL; 77614_FLUKA; acide phenique; UN2312; ST5214353; Carbolic acid, liquid; Phenol [JAN]; Liquid phenol; LS-476; P3653_SIAL; Phenol, solid [UN1671] [Poison]; NCGC00091454-03; RCRA waste number U188; WLN: QR; W322318_ALDRICH; Phenol (liquid); Phenol (or solutions with 5% or more phenol); Caswell No. 649; 16016_RIEDEL; Baker's p and s; Phenol, synthetic; Fenolo [Italian]; Phenol, pure; Phenol solution; HSDB 113; Phenyl alcohol; Oxybenzene; Izal; C15584; FEMA No. 3223; phenylalcohol; AIDS-000352; NSC36808; Phenol (TN); Phenol alcohol; 40063_SUPELCO; Phenol-UL-14C; UN 1671 (solid); 16017_RIEDEL; 33517_RIEDEL; InChI=1/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7; Acide carbolique [French]; carbolic acid; Synthetic phenol; Phenyl hydroxide; Fenol [Dutch, Polish]; RCRA waste no. U188; NCGC00091454-01; P1037_SIAL; UN1671; 46344_RIEDEL; 35952_RIEDEL; Fenol; ZINC00895069; Phenol, labeled with carbon-14; Fenosmolin; Baker's P & S liquid & Ointment; Monophenol; Phenylic alcohol; 564796_ALDRICH; Monohydroxybenzene; Phenol solutions [UN2821] [Poison]; 77607_FLUKA; Phenol, molten [UN2312] [Poison]; 297437_SIGMA; P9346_SIAL; CHEBI:15882; c0128; Carbolsaure [German]; EINECS 203-632-7; Phenol (JP15/USP); Phenyl hydrate; Phenol, polymer-bound; UN 2312 (molten); D00033; EPA Pesticide Chemical Code 064001; EINECS 262-972-4; 48688_SUPELCO; Phenol, liquefied; Phenol, chlorinated; Benzene, hydroxy-; CCRIS 504; Karbolsaeure; Paoscle; Liquified Phenol; Acide carbolique; Monohydroxy benzene; P5566_SIAL; NCGC00091454-02;phenylic alcohol;NCI-C50124; 582-EP2308872A1; UN 2312; 582-EP2284148A1; 582-EP2308875A1; 582-EP2275404A1; 582-EP2292597A1; Phenol, liquid; 582-EP2315502A1; AC1Q791G; 582-EP2305689A1; NCGC00259188-01; 582-EP2295426A1; Campho-Phenique Liquid; 582-EP2380872A1; 582-EP2311464A1; 582-EP2316937A1; 3f39; 78049-EP2277868A1; Carbolsaeure; 582-EP2284157A1; J-610001; Carbolsaure; UN2821; 582-EP2305698A2; 582-EP2279750A1; 582-EP2308861A1; AJ-53232; 108-95-2; 582-EP2275395A2; MFCD00002143; 582-EP2275105A1; Phenole [German]; Phenole; AC1L1AHZ; 582-EP2286812A1; 582-EP2308877A1; Phenol, detached crystals, 99% 100g; acide phenique; 582-EP2287166A2; P1610; 582-EP2301538A1; 582-EP2301919A1; 582-EP2316470A2; Hydroxybenzene; Tox21_113463_1; 61788-41-8; 582-EP2316974A1; 14534-23-7; NCGC00091454-03; WLN: QR; Phenol, SAJ first grade, >=98.0%; 582-EP2277879A1; Phenol (or solutions with 5% or more phenol); benzenod; 582-EP2277881A1; Baker's p and s; RL00383; Phenol, pure; 582-EP2301924A1; PHENOL- D6; HSDB 113; Hydroxy-benzene; Izal; Phenol, unstabilized, purified by redistillation, >=99%; C15584; Phenol, puriss., meets analytical specification of Ph. Eur., BP, USP, >=99.5% (GC), crystalline (detached); NCGC00091454-04; 582-EP2280021A1; UN 1671 (solid); C6H6O; InChI=1/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7; 582-EP2298758A1; 582-EP2272817A1; 582-EP2308848A1; Phenol solution, BioReagent, Saturated with 0.1 M citrate buffer, pH??4.3 +/- 0.2, for molecular biology; Phenol [USP:JAN]; 582-EP2289879A1; H2391; 582-EP2305649A1; 582-EP2308873A1; Phenol, LR, >=99%; AK113559; 582-EP2298753A1; NCGC00091454-07; RCRA waste no. U188; Phenol, ultrapure; 582-EP2311811A1; SMR000568492; Fenosmolin; 582-EP2302015A1; Phenylic alcohol; 78049-EP2277870A1; Pandy's reagent; 582-EP2280004A1; 582-EP2301926A1; Liquefied phenol BP; Carbolsaure [German]; EINECS 203-632-7; 8002/7/1; 582-EP2272849A1; Phenol, BioXtra, >=99.5% (GC); ISWSIDIOOBJBQZ-UHFFFAOYSA-N; 582-EP2301935A1; 582-EP2308880A1; FT-0645154; Paoscle; Phenol molten; 50356-25-7; 582-EP2295424A1; AB1002201; Benzenol; BDBM26187; Phenol, >=99%; 582-EP2311814A1; Fenol(DUTCH, POLISH); 582-EP2280003A2; 582-EP2311494A1; 1li2; 582-EP2316832A1; 1ai7; Un 2812 (solution); Carbolic oil; 582-EP2298759A1; AI3-01814; Phenol, sulfurated; 582-EP2298778A1; (14C)Phenol; 582-EP2301929A1; Phenol, PESTANAL(R), analytical standard; 582-EP2295434A2; BIDD:ER0293; NCGC00254019-01; I01-9247; 582-EP2275411A2; 582-EP2308838A1; Paoscle (TN); 582-EP2284147A2; EC 203-632-7; Fenosmoline; hydroxybenzend; PhOH; 582-EP2272813A2; 582-EP2305687A1; Phenol, detached crystals; Phenol, AR, >=99.5%; MolPort-000-871-946; Tox21_113463; PHENOL, 80% in ethanol; 582-EP2272822A1; DSSTox_RID_75955; Phenol solution, 100 mug/mL in acetonitrile, PESTANAL(R), analytical standard; Carbolic acid, liquid; Liquid phenol; 582-EP2277570A2; Phenol, >25% in a non hazardous diluent; Phenol (liquid); Phenol, for molecular biology; Caswell No. 649; 582-EP2277568A2; Phenol, synthetic; Fenolo [Italian]; 582-EP2305674A1; 4-hydroxybenzyl group; 582-EP2295429A1; 582-EP2287162A1; 78049-EP2272846A1; Phenol, p.a., ACS reagent, 99.5-100.5%; FEMA No. 3223; Phenol (TN); Phenol (JP17/USP); DTXSID5021124; 582-EP2287161A1; 582-EP2305673A1; 582-EP2295399A2; 139-02-6 (hydrochloride salt); 582-EP2305664A1; 582-EP2371811A2; 582-EP2374784A1; 582-EP2277569A2; 582-EP2305695A2; BP-30160; 582-EP2308510A1; KB-59534; 582-EP2298744A2; Phenol, natural, 97%, FG; 582-EP2295437A1; carbolic acid; 582-EP2280010A2; 582-EP2284160A1; 582-EP2287165A2; Fenol [Dutch, Polish]; UN1671; 582-EP2371807A1; Phenol, labeled with carbon-14; Phenol, United States Pharmacopeia (USP) Reference Standard; UN 2821; Liquefied phenol; Monohydroxybenzene; bmse000290; 582-EP2289892A1; 582-EP2311822A1; Cepastat lozenges; Phenol solutions; 78049-EP2292608A1; 582-EP2305625A1; 582-EP2305684A1; Phenol, polymer-bound; 582-EP2301983A1; Phenyl hydrate; UN 2312 (molten); 582-EP2280020A1; 582-EP2308878A2; Phenol, BP grade 80% aqueous solution; MCULE-9943948107; EINECS 262-972-4; KS-00000VIO; DB03255; UNII-339NCG44TV; 582-EP2311831A1; Phenol, molten [UN2312] [Poison]; Monohydroxy benzene; NCGC00091454-02; 582-EP2316833A1; LS-105199; Phenol solution, 5000 mug/mL in methanol, certified reference material; 582-EP2277567A1; Cuticura pain relieving ointment; 582-EP2277867A2; 582-EP2298742A1; 582-EP2316824A1; 582-EP2314579A1; 582-EP2305243A1; Baker's P and S Liquid and Ointment; 582-EP2372017A1; 582-EP2316829A1; F1908-0106; AN-22534; 582-EP2305627A1; ACMC-1CE2K; 582-EP2280006A1; NSC 36808; 582-EP2284169A1; Fenolo; PHENOL, ACS; 78049-EP2371806A1; DSSTox_GSID_21124; 582-EP2295428A2; 582-EP2289883A1; Liquefied phenol (TN); UN 1671; 582-EP2284146A2; 582-EP2301937A1; 582-EP2305633A1; Phenol synthetic; Phenol [JAN]; Phenolated water for disinfection; MLS001065591; Phenol solutions [UN2821] [Poison]; NSC-36808; Phenol homopolymer; Phenol, solid [UN1671] [Poison]; DSSTox_CID_1124; 582-EP2269997A2; 582-EP2311455A1; NCGC00091454-05; 582-EP2308840A1; Phenol stock solution, 100 mg/dL, standard; C00146; PHENOL REAGENT; 582-EP2301536A1; 582-EP2272972A1; 582-EP2305808A1; Phenyl alcohol; 582-EP2316836A1; 582-EP2371806A1; 582-EP2281819A1; 78049-EP2371807A1; Phenol, polymer-bound, 100-200 mesh, extent of labeling: 0.5-1.5 mmol/g loading, 1 % cross-linked with divinylbenzene; 582-EP2305648A1; 582-EP2305640A2; 582-EP2314571A2; Phenol, >=96.0% (calc. on dry substance, T); Phenol, BioUltra, for molecular biology, >=99.5% (GC); I14-62966; NA 2821; SC-26791; Phenol,industrial; Phenol for disinfection (JP17); 582-EP2374785A1; 582-EP2277872A1; Phenol polymer-bound; CS0062; 582-EP2281817A1; AKOS000119025; 582-EP2305679A1; 582-EP2275420A1; 582-EP2275403A1; 582-EP2311834A1; NCGC00091454-01; Fenol; Tox21_300042; Baker's P & S liquid & Ointment; bmse010026; Liquified Phenol, meets USP testing specifications, >=89.0%; Campho-Phenique Cold Sore Gel; CAS-108-95-2; CRISTALESDEFENOL; 582-EP2284165A1; 582-EP2314576A1; Carbolic acid liquid; 582-EP2308865A1; TEA polyphenol; 582-EP2270003A1; 582-EP2270101A1; 78049-EP2308866A1; C6H5OH; ANW-15995; D00033; 63496-48-0; AM802906; Phenosmolin; Liquefied phenol (JP17); 582-EP2311829A1; Phenol, ACS reagent; Benzene, hydroxy-; CCRIS 504; Phenol, 90% aqueous solution; Hydroxybenzene solution; 582-EP2280012A2; Acide carbolique; CTK0H5673; 582-EP2269975A2; 582-EP2277566A2; 582-EP2298776A1; 78049-EP2277869A1; Phenic alcohol; p-Hydroxy polystyrene (100-200 mesh, 0.5-1.5 mmol/g); 582-EP2295438A1; NCGC00091454-06; Phenol, solid; 582-EP2295427A1; Phenol, contains hypophosphorous as stabilizer, loose crystals, ACS reagent, >=99.0%; 582-EP2305033A1; 582-EP2275415A2; 582-EP2311808A1; 582-EP2272973A1; Phenol, JIS special grade, >=99.0%; Phenol, >=99.0%; 52009-05-9; 582-EP2314295A1; Phenic; 582-EP2298750A1; PHENOL, ULTRA PURE; 582-EP2298734A2; phenol; 582-EP2287167A1; 582-EP2284178A2; Tox21_201639; 582-EP2272935A1; 27073-41-2; 582-EP2270113A1; 582-EP2305697A2; Phenol, molten; UN2312; LS-476; 582-EP2289509A2; Phenol, puriss. p.a., ACS reagent, reag. Ph. Eur., 99.0-100.5%; IPH; PHENOL REAGE NT; 78049-EP2287158A1; Phenol solution; Oxybenzene; Phenol for disinfection (TN); 582-EP2298775A1; Campho-Phenique Gel; phenylalcohol; Phenol liquid; NSC36808; 582-EP2377842A1; Phenol alcohol; Phenol 10 microg/mL in Methanol; 4i7l; RTR-002010; hydroxy benzene; Phenol, BioUltra, for molecular biology, TE-saturated, ~73% (T); Carbolicum acidum; 582-EP2292280A1; Phenol, unstabilized, ReagentPlus(R), >=99%; 56322-06-6; 582-EP2314588A1; Acide carbolique [French]; 582-EP2274983A1; Synthetic phenol; 582-EP2289891A2; Phenyl hydroxide; Phenic acid; phenylic acid, phenyl hydroxide; MFCD03703209; 582-EP2277565A2; 2-hydroxybenzoyl group; LTBB002354; 582-EP2287158A1; Monophenol; Phenol 100 microg/mL in Methanol; 582-EP2269977A2; 582-EP2289965A1; 582-EP2286811A1; Phenol solutions [UN2821] [Poison]; 582-EP2292620A2; 582-EP2316831A1; Phenol, molten [UN2312] [Poison]; 582-EP2305696A2; 73607-76-8; ZINC5133329; 582-EP2280001A1; 582-EP2295411A1; CHEBI:15882; Phenol solution, certified reference material, 500 mug/mL in methanol; 582-EP2289896A1; 582-EP2308471A1; 339NCG44TV; 582-EP2305668A1; phenyloxidanyl; Rcra waste number U188; EPA Pesticide Chemical Code 064001; Phenol, solid [UN1671] [Poison]; 582-EP2305662A1; CHEMBL14060; 582-EP2316452A1; 97694-EP2305662A1; Phenol, liquefied; 582-EP2311824A1; Phenylic acid; Karbolsaeure; 582-EP2289868A1; Phenol, puriss., meets analytical specification of Ph. Eur., BP, USP, 99.5-100.5% (GC); Liquified Phenol; Phenol, for molecular biology, ~90% (T), liquid; Phenolated water; 582-EP2305685A1; 582-EP2292608A1; Phenol solution, BioReagent, Equilibrated with 10??mM Tris HCl, pH??8.0, 1??mM EDTA, for molecular biology;4-[5-phenyl-4,5-dihydro-3-isoxazolyl)-2-methylphenol; 2-methyl-4-(5-phenyl-4,5-dihydroisoxazol-3-yl)phenol;phenylic acid;phenol;hydroxybenzene | C6H6O | 94.11 g/mol | C1=CC=C(C=C1)O |
| TCMBANKIN058483 | shikimicacid | shikimic acid; Shikimate | C7H10O5 | 174.15 g/mol | C1C(C(C(C=C1C(=O)O)O)O)O |
| TCMBANKIN058484 | quinic acid | Cyclohexanecarboxylicacid, 1,3,4,5-tetrahydroxy-, (1a,3R,4a,5R); SCHEMBL12464756; Kinate; SCHEMBL13577075; 1,3,4,5-Tetrahydroxycyclohexane-carboxylic acid; quinate; quinicacid; Quinic acid; (3R)-1,3,4,5-tetrakis(oxidanyl)cyclohexane-1-carboxylic acid; Chinate; SCHEMBL14960616; (1R,3R,4S)-1,3,4,5-tetrahydroxycyclohexane-1-carboxylic acid; (3R)-1,3,4,5-tetrahydroxy-1-cyclohexanecarboxylic acid; SCHEMBL39555; A839299 | C7H12O6 | 192.17 | C1C(C(C(CC1(C(=O)O)O)O)O)O |
| TCMBANKIN058486 | Heriguard | Cyclohexanecarboxylic acid, 3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, [1S-(1alpha,3beta,4alpha,5alpha)]-; Chlorogenic acid (8CI); Cyclohexanecarboxylic acid, 3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, [1S-(1.alpha.,3.beta.,4.alpha.,5.alpha.)]-; SDCCGMLS-0066467.P001; 202650-88-2; ACon1_000581; (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]-1,4,5-trihydroxy-1-cyclohexanecarboxylic acid; NSC407296; C00852; [1S-(1alpha,3beta,4alpha,5alpha)]-3-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid; Chlorogenic acid hemihydrate; Spectrum5_000733; (1S,3R,4R,5R)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexane-1-carboxylic acid; 3-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]oxy] 1,4,5-trihydroxycyclohexanecarboxylic acid; CHEBI:16112; C12209; Prestwick0_000427; CCRIS 1400; Prestwick3_000427; (1S,3R,4R,5R)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxy-cyclohexane-1-carboxylic acid; EINECS 206-325-6; Cyclohexanecarboxylic acid, 3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, (1S,3R,4R,5R)-; Prestwick2_000427; 3-Caffeoylquinic acid; BSPBio_000414; DivK1c_007053; KBio1_001997; BPBio1_000456; (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid; SMP1_000066; KBio2_002354; KBio2_004922; AIDS-012116; C3878_SIGMA; Caffeoyl quinic acid; SPECTRUM210800; (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)acryloyl]oxy-1,4,5-trihydroxy-cyclohexane-1-carboxylic acid; 25700_FLUKA; trans-5-O-Caffeoyl-D-quinate; 1,3,4,5-tetrahydroxycyclohexanecarboxylic acid 3-(3,4-dihydroxycinnamate); SPBio_001836; BSPBio_003353; KBio3_002855; (1S,3R,4R,5R)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexanecarboxylic acid; BB_NC-1939; NSC70861; NSC 407296; Chlorogenic acid; Chlorogenate; Cyclohexanecarboxylic acid, 3-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-1,4,5-trihydroxy-, (1S-(1-alpha,3-beta,4-alpha,5-alpha))-; Spectrum3_001797; 1,3,4,5-Tetrahydroxycyclohexanecarboxylic acid 3-(3,4-dihydroxycinnamate; Spectrum2_001898; AIDS012116; Spectrum_001846; 3-O-Caffeoylquinic acid; SPBio_002353; KBio2_007490; 5-O-(3,4-Dihydroxycinnamoyl)-L-quinic acid; cyclohexanecarboxylic acid, 3-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, (1S,3R,4R,5R)-; Prestwick_112; KBioSS_002357; NSC 70861; 3-(3,4-Dihydroxycinnamoyl)quinic acid; Prestwick1_000427; Hlorogenic acid; (1S,3R,4R,5R)-3-[3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]-1,4,5-trihydroxy-1-cyclohexanecarboxylic acid; (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxy-cyclohexane-1-carboxylic acid; [1S-(1alpha,3beta,4alpha,5alpha)]3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid; SpecPlus_000957; (1S,3R,4R,5R)-3-[3-(3,4-dihydroxyphenyl)acryloyl]oxy-1,4,5-trihydroxy-cyclohexane-1-carboxylic acid; 3-O-(3,4-Dihydroxycinnamoyl)-D-quinic acid; 327-97-9; Chlorogenic acid (8CI); (+)-Chlorogenic acid; ZINC2138728; AJ-33519; SDCCGMLS-0066467.P001; 3-(3,4-Dihydroxycinnamoyl)quinate; Hoodia Chinese Extract; [1S-(1alpha,3beta,4alpha,5alpha)]-3-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid; NCGC00168941-03; AK-49688; CCRIS 1400; 3-CQ; 3-Caffeoylquinic acid; (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxy-cyclohexanecarboxylic acid; BPBio1_000456; Chlorogenic acid (constituent of echinacea angustifolia root, echinacea pallida root, echinacea purpurea root and echinacea purpurea aerial parts) [DSC]; 3-[3-(3,4-Dihydroxy-phenyl)-acryloyloxy]-1,4,5-trihydroxy-cyclohexanecarboxylic acid; UNII-318ADP12RI; 5-Caffeoylquinic acid; BB_NC-1939; (1S,3R,4R,5R,E)-3-(3-(3,4-dihydroxyphenyl)acryloyloxy)-1,4,5-trihydroxycyclohexanecarboxylic acid; CHLOROGENIC ACID; Cyclohexanecarboxylic acid, 3-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-1,4,5-trihydroxy-, (1S,3R,4R,5R)-; 3-O-Caffeoylquinic acid; Caffetannic acid; Chlorogenic acid [MI]; ALBB-030169; 202650-88-2; CCG-38471; Cyclohexanecarboxylic acid, 3-(((2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl)oxy)-1,4,5-trihydroxy-, (1S,3R,4R,5R)-; C00852; trans-5-O-Caffeoylquinic acid; HMS1923C11; MLS002153805; trans-5-O-caffeoyl-D-quinate; MolPort-035-394-873; CHEBI:16112; 3-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]oxy] 1,4,5-trihydroxycyclohexanecarboxylic acid; SMR000857273; Prestwick2_000427; Chlorogenic acid [WHO-DD]; SR-01000946600-1; Chlorogenic acid, European Pharmacopoeia (EP) Reference Standard; MCULE-8135887819; SR-01000841185; ACT03375; SPECTRUM210800; edit(1S,3R,4R,5R)-3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid; SR-01000946600; (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylicacid; PubChem13036; 3-[(E)-3-(3,4-Dihydroxy-phenyl)-acryloyloxy]-1,4,5-trihydroxy-cyclohexanecarboxylic acid; Chlorogenate; AC1LX54Y; (1S,3R,4R,5R)-3-[(E)-3-(3,4-DIHYDROXY-PHENYL)-ACRYLOYLOXY]-1,4,5-TRIHYDROXY-CYCLOHEXANECARBOXYLIC ACID; Chlorogenic?acid; Quinic acid, 3-caffeoyl-, E-; NCGC00168941-01; AC-6032; AKOS015955866; 32CF6D13-8F08-485F-B79E-F8A6AC318E07; (1S,3R,4R,5R)-3-((E)-3-(3,4-dihydroxyphenyl)acryloyloxy)-1,4,5-trihydroxycyclohexanecarboxylic acid; Cyclohexanecarboxylic acid, 3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, [1S-(1alpha,3beta,4alpha,5alpha)]-; (1S,3R,4R,5R)-3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid; TL8001703; [1S-(1alpha,3beta,4alpha,5alpha)]3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid; NSC-407296; 3-O-(3,4-Dihydroxycinnamoyl)-D-quinic acid; Chlorogenic acid, United States Pharmacopeia (USP) Reference Standard; Hlorogenate; 3-trans-Caffeoylquinic acid; BG00688012; ACon1_000581; Chlorogenic acid, Chiral; HMS2235F03; NSC407296; J10338; ST2419179; Quinic acid, 5-caffeoyl-; CC-919; 318ADP12RI; Prestwick3_000427; EINECS 206-325-6; NCGC00168941-02; 3-o-caffeoylquinic acid ; CHEBI:95271; BIDD:ER0453; (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid; 327C979; 3-Caffeoylquinate; HY-N0055; 1,3,4,5-tetrahydroxycyclohexanecarboxylic acid 3-(3,4-dihydroxycinnamate); NSC70861; (1S,3R,4R,5R)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexanecarboxylic acid; Cyclohexanecarboxylic acid, 3-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-1,4,5-trihydroxy-, (1S-(1-alpha,3-beta,4-alpha,5-alpha))-; CHEMBL284616; CWVRJTMFETXNAD-JUHZACGLSA-N; 5-CQA; NSC 70861; (1S,3R,4R,5R)-3-(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4,5-trihydroxycyclohexane-1-carboxylic acid; bmse000387; Hlorogenic acid; LS-1202; SCHEMBL19466; (1R,3S,4S,5S)-3-[(E)-3-(3,4-Dihydroxy-phenyl)-acryloyloxy]-1,4,5-trihydroxy-cyclohexanecarboxylic acid; MolPort-001-740-212; Chlorogenic acid (constituent of st. john's wort) [DSC]; RL03176; Chlorogenic acid, primary pharmaceutical reference standard; AS-12284; MFCD00003862; 3-CQA; NSC-70861; Spectrum5_000733; D02HCQ; DB12029; SR-01000841185-4; HMS2096E16; s2280; Cyclohexanecarboxylic acid, 3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, (1S,3R,4R,5R)-; SC-13943; HMS3649E06; Chlorogenic acid, >=95% (titration); I04-11738; 5-caffeoyl quinic acid; 3-O-caffeoyl quinic acid; CS-3766; Caffeoyl quinic acid; Chlorogenicacid; BSPBio_003353; BDBM50327036; BC202916; NSC 407296; HMS1569E16; caffeoylquinic acid; CP chlorogenic acid; 1,3,4,5-Tetrahydroxycyclohexanecarboxylic acid 3-(3,4-dihydroxycinnamate; 3-O-caffeoyl-D-quinic acid; trans-Caffeic acid 5-o-D-quinate; (1S,3R,4R,5R)-3-(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4,5-trihydroxycyclohexanecarboxylic acid; Heriguard; 5-O-(3,4-Dihydroxycinnamoyl)-L-quinic acid; cyclohexanecarboxylic acid, 3-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, (1S,3R,4R,5R)-; Prestwick_112; 3-(3,4-Dihydroxycinnamoyl)quinic acid; BRD-K47114202-001-06-2; D54CAE3D-CDDA-455D-A28E-77FC9EFE4A43; BSPBio_000414; 327-97-9; CC0158; K-7597; 3-o-caffeoylquinic acid; caffetannic acid;caffeoylquinic acid ; 3- caffeoylquinic acid; 4-o-caffeoyl-d-quinic acide; [3-4] Chlorogenic acid; Chlorgenic acid; 4-o-caffeoyl-d-quinic acide; 5-caffeoylquinic acid; isochlorogenic acid; 5-Dicaffeoylquinic acid; isochlorogenic acid a; 5-o-caffeoylquinic acid; (1R,3R,4S,5R)-3-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexanecarboxylic acid; (1R,3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxy-cyclohexane-1-carboxylic acid; 5-o-caffeoylquinic acid ; 5-Caffeylquinic acid; trans-5-O-caffeoyl-D-quinic acid; 5- O- caffeoylquinicacid; (1R,3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid; ACon1_000392; 5- o -caffeoylquinic acid; (1R,3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]-1,4,5-trihydroxy-1-cyclohexanecarboxylic acid; 1D-[1(OH),3,4/5]-3-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexanecarboxylic acid; 906-33-2; Cyclohexanecarboxylic acid, 3-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-1,4,5-trihydroxy-, (1R-(1alpha,3alpha,4alpha,5beta))-; (1R,3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)acryloyl]oxy-1,4,5-trihydroxy-cyclohexane-1-carboxylic acid; (1R-(1alpha,3alpha,4alpha,5beta))-3-((3-(3,4-Dihydroxyphenyl)-1-oxoallyl)oxy)-1,4,5-trihydroxycyclohexanecarboxylic acid; CHEBI:16384; EINECS 212-997-1; 3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid; BIB6027; 3-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid; NSC-407297; AKOS022146313; neochlorogenicacid; CWVRJTMFETXNAD-DUXPYHPUSA-N; BDBM153327; 3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxy-cyclohexanecarboxylic acid; 5-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,3,4-trihydroxycyclohexanecarboxylic acid; neo-chlorogenic,acid; 3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid; STL377917; 5-caffeoylquinic acid; neo-chlorogenic acid; NSC407297; ZX-AT010530; Isochlorogenic acid; 5-O-caffeoyl quinic acid; 5Z-Caffeoylquinic acid; AC1NSTIZ; BBL028113; OR1166; BPH-1068; 534-61-2; SCHEMBL1228850; MolPort-001-759-169; neochlorogenic acid; 3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexanecarboxylic acid; Neochlorogenic acid; isochlorogenic acid; isochlorogenicacid; ZINC3947476; NCGC00142471-01; NCGC00017241-02; AKOS025402181; CHEMBL1552319; AC-6051; chorogenic acid; 1,3-caffeoylquinic acid | C16H18O9 | 354.31g/mol | C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O |
| TCMBANKIN058581 | GBL | 1,4-Lactone; 2-tetrahydrofuranone; Gamma-Lactone 4-hydroxy-butyric acid; CHEBI:42639; B103608_ALDRICH; Butyric acid lactone; gamma-Hydroxybutyric acid cyclic ester; 4-Hydroxybutanoic acid, .gamma.-lactone; oxolan-2-one; 1,4-Butyrolactone; .gamma.-6480; .gamma.-Hydroxybutyric acid lactone; gamma-Hydroxybutyric acid lactone; Butanoic acid, 4-hydroxy-, .gamma.-lactone; ZINC04658567; Butyryl lactone; gamma-Butyrolactone (natural); gamma-6480; 4-Deoxytetronic acid; NSC4592; 2-Oxolanone; .gamma.-Butyrolactone; HSDB 4290; .gamma.-BL; 187997-16-6; NCI-C55878; EINECS 202-509-5; 4-Hydroxybutyric acid, .gamma.-lactone; 4-Butanolide; 4-Butyrolactone; AI3-28121; gamma-BL; tetrahydrofuran-2-one; Tetrahydro-2-furanone; NSC 4592; CCRIS 2924; EPA Pesticide Chemical Code 122303; Caswell No. 132B; FEMA No. 3291; Gamma-Lactone 4-hydroxybutanoic acid; Butyrylactone; 4-Hydroxybutanoic acid lactone; C-1070; 2(3H)-Furanone, dihydro-; C01770; 1,2-Butanolide; 3-Hydroxybutyric acid lactone; 4-Hydroxybutyric acid lactone; No Go; Dihydro-2-furanone; 1,4-Butanolide; .gamma.-Hydroxybutyric acid cyclic ester; Gamma-Butanolactone; gamma-Hydroxybutyrolactone; InChI=1/C4H6O2/c5-4-2-1-3-6-4/h1-3H; Gamma-Lactone 4-hydroxybutyric acid; .alpha.-Butyrolactone; c0033; Dihyro-2-furanone; .gamma.-Hydroxybutyrolactone; W329118_ALDRICH; BLO; Butyric acid, 4-hydroxy-, gamma-lactone; Agrisynth BLO; Butanoic acid, 4-hydroxy-, gamma-lactone; Gamma-Lactone 4-hydroxy-butanoic acid; dihydrofuran-2(3H)-one; 96-48-0; Alpha-Butyrolactone; Dihydro-2(3H)-furanone; BLON; Butyrolactone; WLN: T5OVTJ; Butyric acid, 4-hydroxy-, .gamma.-lactone; 2-Oxotetrahydrofuran; LS-2010; BUTANOIC ACID,4-HYDROXY,LACTONE GAMMA-BUTYROLACTONE; gamma-Butyrolactone; 1-Oxacyclopentane-2-one; γ- Butyrolactone; Butyrolactone | C4H6O2 | 86.09 | C1CC(=O)OC1 |
| TCMBANKIN058615 | Cyclohexane | cyclohexane; 154741_SIAL; Benzenehexahydride; Hexanaphthene; Benzene, hexahydro-; Cyclohexane, reaction product with oxygen, nonvolatile residue; 33117_RIEDEL; 68411-76-7; HSDB 60; Cyclohexane, oxidized, non-volatile residue; 227048_ALDRICH; Hexamethylene; Cicloesano [Italian]; Cykloheksan [Polish]; AI3-08222; 676861_ALDRICH; 34496_RIEDEL; UN1145; Cykloheksan; Cyclohexaan [Dutch]; Caswell No. 269; InChI=1/C6H12/c1-2-4-6-5-3-1/h1-6H; Cyclohexaan; ghl.PD_Mitscher_leg0.242; RCRA waste number U056; EPA Pesticide Chemical Code 025901; NSC 406835; EINECS 203-806-2; 28935_FLUKA; RCRA waste no. U056; Poly(cyclohexane); NSC406835; Cicloesano; EINECS 270-147-5; Cyclohexane; 15329_RIEDEL; Polycyclohexane; 28920_FLUKA; 110-82-7; Cyclohexan [German]; hexahydro-Benzene; 25012-93-5; WLN: L6TJ; 650455_ALDRICH; LS-516; 28918_FLUKA; Zyklohexan; c0941; CCRIS 3928; Cyclohexan; Hexahydrobenzene; 34855_SIAL; Cyclohexane [UN1145] [Flammable liquid]; 179191_SIAL; C11249; 442531_SUPELCO; Cyclohexane, homopolymer; CHEBI:29005; CHX | C6H12 | 84.16 g/mol | C1CCCCC1 |
| TCMBANKIN058647 | 2,3-Dihydrothiophene | Thiophene, 2,3-dihydro-; 1120-59-8 | C4H6S | 86.16 g/mol | C1CSC=C1 |
| 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 |
| 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 |
| TCMBANKIN058851 | linalool | Spectrum5_000393; KBioGR_002294; KBio2_003260; KBio2_000692; (3R)-3,7-dimethylocta-1,6-dien-3-ol; W263516_ALDRICH; ZINC01529820;beta-linalool;NSC-3789; AK-50127; (+/-)-3,7-Dimethyl-1,6-octadien-3-ol; ACMC-209pf1; D0X5DC; Linalool Solution, 1000 mg/L, 1 ml (RM, ISO GUIDE 34); Linalool, primary pharmaceutical reference standard; CDOSHBSSFJOMGT-UHFFFAOYSA-N; AC1L1MRY; Howood Oil; 1,6-Octadien-3-ol, 3,7-dimethyl-, (3S)-; KSC377K8J; AC1Q1NVD; KB-179981; (+/-) LINALOOL; NCGC00259207-01; 3,6-dien-3-ol; AI3-00942; HSDB 645; (S)-Linalol; 2,7-Octadien-6-ol, 2,6-dimethyl-; 2,6-Dimethylocta-2,7-dien-6-ol; Linalool ex orange oil; (?)-3,7-Dimethyl-1,6-octadien-3-ol; DB-062552; I14-13929; FT-0614785; FCH1115719; Tox21_201658; 11024-20-7; BB_NC-00123; MolPort-001-783-101; LS-97796; 2,6-Dimethyl-2,7-octadien-6-ol; Linalool (natural); L0048; Linalool; BRN 1721488; 2,7-octadiene-6-ol; DSSTox_RID_77812; 3,7-Dimethyl-1,6-octadien-3-ol; BC207603; STL373777; AC1Q2BP3; FEMA No. 2635; ANW-37211; MCULE-2407576698; 3,6-octadien-3-ol; Natural Linalool; Linalool b; SCHEMBL20316; BBL027734; EINECS 204-811-2; LINALOOL (+); CU-01000013132-2; LINOLOOL (D); ST069326; dl-3,7-Dimethyl-3-hydroxy-1,6-octadiene; NSC 3789; CHEBI:17580; Linalool ex ho oil; Linalool, 97%; (.+/-.)-Linalool; allo-Ocimenol; GTPL2469; CCRIS 6557; ( -)-Linalool; BG00600803; NCGC00257060-01; C03985; EINECS 201-134-4; HMS2268E18; Tox21_303037; Phantol; (+-)-Linalool; SBB012353; SMR000112394; DTXSID7025502; (R)-3,7-Dimethyl-1,6-octadien-3-ol; DL -3,7-Dimethyl-3-hydroxy-1,6-octadiene; BB_NC-0123; NCGC00091688-04; (+/-)-3,7-Dimethyl-3-hydroxy-1,6-octadiene; CHEMBL25306; MLS002152908; WLN: 1Y1&U3XQ1&1U1 -,-; LINALYL ALCOHOL; Q-201306; 0-01-00-00462 (Beilstein Handbook Reference); SC-74998; CAS-78-70-6; (+/-)-linalool; LINALOOL EX BOIS DE ROSE; RTR-030706; NCGC00091688-02; Linalool, analytical standard; MFCD00008906; 1,6-OCTADIEN-3-OL, 3,7-DIMETHYL-, (-)-; Linalool, >=97%, FCC, FG; AC-551; Linolool; NSC3789; Linalool, certified reference material, TraceCERT(R); FEMA Number 2635; AKOS015901617; 3,7-Dimethyl-1, 6-octadien-3-ol; p-Linalool; Linalool ex bois de rose oil; FEMA 2635; DSSTox_CID_5502; .beta.-Linalool; EC 201-134-4; TR-030706; CTK2H7584; LS-1752; KS-00000WLW; 3,7-Dimethylocta-1,6-dien-3-ol; DSSTox_GSID_25502; WLN: 1U1XQ1&3UY1&1; 1,6-Octadien-3-ol, 3,7-dimethyl-; ( )-linalool; CCRIS 3726; Linanool; 78-70-6; NCGC00091688-03; Caswell No. 526A; AN-22986; 2,6-Dimethyl-2,7-octadiene-6-ol; (RS)-Linalool; RP21877; (1)-3,7-Dimethyl-1,6-octadien-3-ol; AN-15757; AC1Q1NVE; LINALOOL, (+-)-; NCGC00091688-01; Linalol; beta-Linalool; EINECS 245-083-6; 22564-99-4; Linalool, .beta.; 2,7-dien-6-ol; EPA Pesticide Chemical Code 128838; 1, 3,7-dimethyl-, (-)-; 3,7-dimethyl-octa-1,6-dien-3-ol;L-linalool;CJ-23937; Spectrum5_000393; LMPR0102010013; AKOS028109218; linalool ; Linalool; 1,6-Octadien-3-ol,3,7-dimethyl-, (3R)-; (R)-3,7-Dimethyl-1,6-octadien-3-ol; AC1L9E4Q; KBioGR_002294; (R)-3,7-dimethylocta-1,6-dien-3-ol; KBio2_003260; Epoxydihydrolinalool; KBio2_000692; (3R)-3,7-dimethylocta-1,6-dien-3-ol; ZINC1529820; Spectrum4_001777; C11388; linalool oxide; 126-91-0; 3U21E3V8I2; KBio3_002285; CCG-38497; CTK8F1408; KBio2_005828; KBioSS_000692; (-)-Linalool; EINECS 204-811-2; (-)-3,7-dimethyl-1,6-octadien-3-ol; LINALOOL (+); (3R)-Linalool; L-LINALOOL, REF. IND.-14<F128><144><F255>; CHEMBL235672; CHEBI:28; SpecPlus_000909; SCHEMBL891312; (-)-Linalool, analytical standard; UNII-3U21E3V8I2; KBio1_001949; J-005448; MolPort-003-666-060; NCGC00095658-01; FT-0772303; BSPBio_002785; SDCCGMLS-0066889.P001; UNII-D81QY6I88E component CDOSHBSSFJOMGT-JTQLQIEISA-N; L-Linalool; 1,6-OCTADIEN-3-OL, 3,7-DIMETHYL-, (-)-; L-Linalool, natural, >=95%, FG; SPBio_002007; Spectrum3_001173; 1,6-Octadien-3-ol, 3,7-dimethyl-, (3R)-; NCGC00095658-02; SPECTRUM1501212; SMP2_000331; (-)-Linalool, >=95.0% (sum of enantiomers, GC); Linalool, (-)-; 3R,7-dimethylocta-1,6-dien-3-ol; DivK1c_007005; (R)-linalool; (R)-(-)-3,7-Dimethyl-1,6-octadien-3-ol; DTXSID40872607; laevo-linalool; MFCD00135469; Spectrum2_001944; I14-45868; (3R)-3,7-dimethyl-1,6-octadien-3-ol; Spectrum_000212; (R)-(-)-Linalool | C10H18O | 154.25 g/mol | CC(=CCCC(C)(C=C)O)C |
| TCMBANKIN058951 | 2-Pentanone,4-hydroxy-4-methyl- | Diacetone-alcool [French]; 4-Hydroxy-4-methyl-pentan-2-on; Q7WP157PTD; Diacetonalcohol [Dutch]; ST51047025; 4-Hydroxy-4-methylpentanone; 2-Methyl-2-pentanol-4-one; Diacetonalkohol(german); NCGC00249012-01; J-515493; J-004939; 4474AA; HSDB 1152; Diacetone; 4-Idrossi-4-metil-pentan-2-one [Italian]; CJ-26683; WLN: QX1 & 1 & 1V1; AC1L1L91; Dimethyl acetonyl carbinol; CHEBI:55381; 4-Hydroxy-4-methyl-pentan-2-on [German, Dutch]; 123-42-2; NSC 9005; SCHEMBL28494; Tox21_201266; BG00599981; Pyranton A; 2-pentanone, 4-hydroxy-4-methyl; Acetonyldimethylcarbinol; CTK0H6771; InChI=1/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H; 4-Hydroxy-4-methyl-pentan-2-on(GERMAN, DUTCH); 4-Hydroxy-2-keto-4-methylpentane; AKOS005721167; SWXVUIWOUIDPGS-UHFFFAOYSA-N; Diacetonalcool; AJ-28761; FT-0624587; Diacetonalkohol; MolPort-001-779-725; CJ-05952; Diacetonalkohol [German]; 4-Methyl-4-hydroxy-2-pentanone; NCGC00258818-01; S14-1442; KS-00000WT8; RTR-003687; Diketone alcohol; F0001-0366; BRN 1740440; 4-Hydroxy-4-methyl pentan-2-one; CCRIS 6177; LS-681; SBB009084; Jsp001572; (CH3)2C(OH)CH2C(O)CH3; DSSTox_RID_77580; DSSTox_GSID_24917; 2-Pentanone, 4-hydroxy-4-methyl-; 4-Hydroxy-4-methylpentan-2-one; 4-methyl-4-oxidanyl-pentan-2-one; AC1Q1K47; 2-Hydroxy-2-methyl-4-pentanone; Pentanone, 4-hydroxy-4-methyl-; CAS-123-42-2; ANW-61448; AK-41308; MCULE-2623560163; TR-003687; NCGC00257419-01; Diacetone alcohol; Diacetone Alcohol, Pharmaceutical Secondary Standard; Certified Reference Material; BB_NC-2286; AN-43481; 4-Hydroxy-4-methyl-2-pentanone, analytical standard; UN 1148; BBL027463; 4-01-00-04023 (Beilstein Handbook Reference); Tyranton; 4-Idrossi-4-metil-pentan-2-one; ZINC1648359; EINECS 204-626-7; Diacetone alcohol [UN1148] [Flammable liquid]; 2-Methyl-3-pentanol-4-one; KSC176O7D; RL01069; NSC-9005; 171962-EP2281810A1; Tox21_303479; Pyraton; 4-Hydroxy-4-methyl-2-pentanone, 99%; Hydroxy-4-methyl-2-pentanone; ACMC-1BVXG; MFCD00004471; 4-hydroxy-4-methyl-pentan-2-one; UNII-Q7WP157PTD; Diacetone-alcool; CHEMBL3182048; 4-Hydroxy-4-methylpentanone-2; NSC9005; LMFA12000071; EPA Pesticide Chemical Code 033901; 4-Methyl-2-pentanon-4-ol; KB-39088; Diacetonealcool; Caswell No. 280; 4-hydroxy4-methyl-2-pentanone; STL146354; UN1148; Pyranton; A805073; EC 204-626-7; Diacetone alcohol [UN1148] [Flammable liquid]; Diacetonyl alcohol; DTXSID6024917; Diacetonalcool [Italian]; AI3-00045; 4-HYDROXY-4-METHYL-2-PENTANONE; DSSTox_CID_4917; SC-80179; Diacetonalcohol; Diacetone-alcool [French]; 2-Pentanone, 4-hydroxy-4-methyl-; Acetonyldimethylcarbinol; ZINC01648359; 4-Hydroxy-4-methyl-pentan-2-on; 4-Hydroxy-4-methylpentan-2-one; H41544_ALDRICH; InChI=1/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H; 31450_FLUKA; 4-hydroxy-4-methyl-pentan-2-one; 2-Hydroxy-2-methyl-4-pentanone; 4-Hydroxy-2-keto-4-methylpentane; Diacetone-alcool; Diacetonalcohol [Dutch]; 4-Hydroxy-4-methylpentanone-2; 4-Hydroxy-4-methylpentanone; NSC9005; 2-Methyl-2-pentanol-4-one; EPA Pesticide Chemical Code 033901; 24220_RIEDEL; Diacetonalcool; Caswell No. 280; 4-Hydroxy-4-methyl-2-pentanone; UN1148; Diacetonalkohol; Pyranton; Diacetonalkohol [German]; HSDB 1152; Diacetone alcohol; Diacetonyl alcohol; Diacetone; 4-Idrossi-4-metil-pentan-2-one [Italian]; WLN: QX1 & 1 & 1V1; Diacetonalcool [Italian]; Dimethyl acetonyl carbinol; AI3-00045; 4-Hydroxy-4-methyl-pentan-2-on [German, Dutch]; Diketone alcohol; 4-01-00-04023 (Beilstein Handbook Reference); Diacetone alcohol [UN1148] [Flammable liquid]; 4-Idrossi-4-metil-pentan-2-one; EINECS 204-626-7; 123-42-2; 4-Hydroxy-4-methyl pentan-2-one; BRN 1740440; CCRIS 6177; NSC 9005; SBB009084; Diacetonalcohol; Pyranton A; Tyranton; 4-hydroxy-4-methyl-2-pentanone | C6H12O2 | 116.16 g/mol | CC(=O)CC(C)(C)O |
| TCMBANKIN059070 | BU3 | 237639_ALDRICH; C03044; ZINC00901616; CHEBI:16982; (2R,3R)-butane-2,3-diol; (2R,3R)-(−)-2,3-Butanediol; NSC15829;2,3-butanediol;(2R,3R)-(-)-2,3-Butanediol, 97%; 32399-EP2301933A1; CHEBI:16982; OWBTYPJTUOEWEK-QWWZWVQMSA-N; 2,3-Butanediol, (R*,R*)-(+-)-; 2,3-Butanediol, (-)-; AKOS015907648; RTR-011239; Levo-2,3-Butanediol; FT-0604653; (R,R)-2,3-butanediol; AC1Q59P8; TR-011239; D-(-)-2,3-Butanediol; NSC15829; (R,R)-(-)-Butane-2,3-diol; L-(-)-2,3-Butanediol; CTK2F5358; OR02B2286A; NSC-15829; C03044; UNII-TMS4MGA0H4 component OWBTYPJTUOEWEK-QWWZWVQMSA-N; KB-03485; 24347-58-8; (2R,3R)-butane-2,3-diol; (2R,3R)-rel-2,3-Butanediol; BU3; AC1L5EEH; UNII-OR02B2286A; AKOS016015450; RP18534; (2R, 3R)-(-)-2,3-butanediol; AK-84477; ST24033981; (2r,3r)-butan-2,3-diol; (2R*,3R*)-2,3-dihydroxybutane; ZINC901616; (R,R)-(-)-2,3-Dihydroxybutane; (2R, 3R)(-)-2,3-butanediol; (-)-(r,r)-2,3-butanediol; (R,R)-(-)-2,3-Butylene Glycol; MolPort-003-927-419; (R,R)-2,3-Butylene glycol; (2R,3R)-(+)-2,3-butanediol; UNII-45427ZB5IJ component OWBTYPJTUOEWEK-QWWZWVQMSA-N; ANW-25408; I14-2853; J-506903; (R,R)-Butane-2,3-diol; (2R,3R)-(-)-2,3-Butanediol; 32399-EP2311827A1; EINECS 246-186-9; BP-30189; J-500969; (2R,3R)-2,3-butanediol; (r,r)-2,3 butanediol; (-)-(2R,3R)-Butanediol; KS-00000V6N; AJ-24368; (-)-2,3-butanediol; UNII-6510BGK6C5 component OWBTYPJTUOEWEK-QWWZWVQMSA-N; 2,3-Butanediol #; AC-26496; 347B588; (R,R)-(-)-2,3-Butanediol; D(-)-2,3-butanediol; A817243; TL8002002; MFCD00064267; 2,3-Butanediol, threo-; 6982-25-8; DB-009316; FT-0696715; 2,3-Butanediol, [R-(R*,R*)]- | C4H10O2 | 90.12 | CC(C(C)O)O |
| TCMBANKIN059190 | β-terpineol | beta-terpineol; β- terpineol; Z-beta-terpineol; β-Terpineol; cis-beta-Terpineol; cis-belta-Terpineol; 1-Terpineol;1-terpineol | C10H18O | 154.25 | CC(C)C1=CCC(CC1)(C)O |
| TCMBANKIN059231 | (4 e,6 e,12e)-3-isovaleryloxy-tetradeca-4,6,12-triene-8,10-diyne-1,14-diol | C19H24O4 | CC(C)CC(=O)OC(CCO)C=CC=CC#CC#CC=CCO | ||
| TCMBANKIN059272 | diisobutyl phthalate | di-isobutyl phthalate;ST5405544; diisobutyl benzene-1,2-dicarboxylate; benzene-1,2-dicarboxylic acid diisobutyl ester; Di-iso-butyl phthalate; 80130_FLUKA; Isobutyl phthalate; bis(2-methylpropyl) benzene-1,2-dicarboxylate; (C4-C13) Branched alkyl alcohols, phthalic anhydride ester; ZINC00388318; EINECS 201-553-2; NSC15316; 1,2-Benzenedicarboxylic acid, bis(2-methylpropyl) ester; Diisobutyl phthalate; 152641_ALDRICH; EINECS 273-157-8; 68951-39-3; C15205; AI3-04278; Phthalic acid, diisobutyl ester; BRN 2054802; NCGC00091360-01; NSC 15316; WLN: 1Y1&1OVR BVO1Y1&1; 4-09-00-03177 (Beilstein Handbook Reference); Diisobutylester kyseliny ftalove [Czech]; Hexaplas M/1B; 1,2-Benzenedicarboxylic acid, C4-13-branched alkyl esters; AI3-04278 (USDA); Kodaflex DIBP; 68955-80-6; Hatcol DIBP; HSDB 5247; CCRIS 6193; di-l-butyl phthalate (DIBP); Di(i-butyl)phthalate; SMR000112470; MLS000516002; 84-69-5; Palatinol IC | C16H22O4- C6H4[CO2CH2CH(CH3)2]2 | 278.34 g/mol | CC(C)COC(=O)C1=CC=CC=C1C(=O)OCC(C)C |
| TCMBANKIN059367 | 1,2-propanediol | aliphatic alcohol; Centella sugar; PGR; (S)-(+)- 1,2-propanediol; 4254-14-2; ZINC00895318; (R)-Propylene glycol; 82284_FLUKA; CHEBI:28972; C02912; R-1,2-PROPANEDIOL; 2,3-PROPANDIOL; (R)-(−)-1,2-Propanediol; HP3; (R)-(−)-Propylene glycerol; (R)-(−)-Propylene glycol; 540242_ALDRICH; (R)-Propane-1,2-diol; NSC90793; (2R)-propane-1,2-diol; (R)-1,2-Propanediol | C3H8O2 or CH3CHOHCH2OH | 76.09 g/mol | CC(CO)O |
| TCMBANKIN059428 | BEO | C4H6O2 | 86.09 g/mol | CC=CC(=O)O | |
| TCMBANKIN059587 | inalool oxide | C10H18O2 | 170.25 g/mol | CC1(CCC(O1)C(C)(C)O)C=C | |
| TCMBANKIN059718 | 2,6,6- trimethyl-1- cyclohexene- 1- acetaldehyde | C11H18O | 166.26 g/mol | CC1=C(C(CCC1)(C)C)CC=O | |
| TCMBANKIN059853 | Fleet-X | C9H12 | 120.19 | CC1=CC(=CC(=C1)C)C | |
| TCMBANKIN059901 | p-xylene | C8H10 | 106.17 | CC1=CC=C(C=C1)C | |
| TCMBANKIN059908 | xylene | C8H10 | 106.17 | CC1=CC=C(C=C1)C.CC1=CC(=CC=C1)C.CC1=CC=CC=C1C | |
| TCMBANKIN059918 | 1,2-diinethylbenzene | C6H4(CH3)2 or C8H10 | 106.16 g/mol | CC1=CC=CC=C1C | |
| TCMBANKIN059944 | .alpha.-Ionene | C13H18 | 174.28 | CC1=CC2=C(C=C1)C(CCC2)(C)C | |
| TCMBANKIN059985 | alpha-terpinol | C10H18O | 154.25 g/mol | CC1=CCC(CC1)C(C)(C)O | |
| TCMBANKIN060116 | zingiberol | C15H26O | 222.37 g/mol | CC12CCCC(=C)C1CC(CC2)C(C)(C)O | |
| TCMBANKIN060139 | maytenonic acid | C30H48O3 | 456.7 g/mol | CC1C(=O)CCC2C1(CCC3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C)C | |
| TCMBANKIN060160 | quercitrin | C21H20O11 | 448.4 g/mol | CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O | |
| TCMBANKIN060264 | rutin | C27H30O16 | 610.5 g/mol | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O | |
| TCMBANKIN060545 | Uosolic Acid | C30H48O3 | 456.7 g/mol | CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)O | |
| TCMBANKIN060551 | 3-acetyl ursolic acid | C32H50O4 | 498.7 g/mol | CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC(=O)C)C)C)C2C1C)C)C(=O)O | |
| TCMBANKIN060633 | PPI | C3H6O2 | 74.08 g/mol | CCC(=O)O | |
| TCMBANKIN060638 | 2-methylbutanoic acid | C5H10O2 | 102.13 | CCC(C)C(=O)O | |
| TCMBANKIN060710 | (Z)-3- hexenal | C6H10O | 98.14 g/mol | CCC=CCC=O | |
| TCMBANKIN060716 | β-hexenol | C6H12O | 100.16 g/mol | CCC=CCCO | |
| TCMBANKIN060732 | 1-methyl-4-ethylbenzene | C9H12 | 120.19 g/mol | CCC1=CC=C(C=C1)C | |
| TCMBANKIN060734 | 3-Ethyltoluene | C9H12 | 120.19 g/mol | CCC1=CC=CC(=C1)C | |
| TCMBANKIN060735 | EB | C8H10 | 106.16 g/mol | CCC1=CC=CC=C1 | |
| TCMBANKIN060797 | Propylbenzene | C9H12 | 120.19 g/mol | CCCC1=CC=CC=C1 | |
| TCMBANKIN060838 | Caproate;Butyl acetate | C6H11O2- | 115.15 g/mol | CCCCCC(=O)[O-] | |
| TCMBANKIN060862 | shogaol | C17H24O3 | 276.4 g/mol | CCCCCC=CC(=O)CCC1=CC(=C(C=C1)O)OC | |
| TCMBANKIN060879 | Linolic acid | C18H32O2 | 280.4 g/mol | CCCCCC=CCC=CCCCCCCCC(=O)O | |
| TCMBANKIN060880 | Linoleic acid methyl ester | C19H34O2 | 294.5 g/mol | CCCCCC=CCC=CCCCCCCCC(=O)OC | |
| TCMBANKIN060897 | enanthic acid | C7H13O2- | 129.18 g/mol | CCCCCCC(=O)[O-] | |
| TCMBANKIN060910 | cis-9-hexadecenoic acid | C16H30O2 | 254.41 g/mol | CCCCCCC=CCCCCCCCC(=O)O | |
| TCMBANKIN060920 | 3(2H)-Furanone,2-hexyl-5-methyl- | C11H18O2 | 182.26 g/mol | CCCCCCC1C(=O)C=C(O1)C | |
| TCMBANKIN060926 | Ethyl octoate | C10H20O2 | 172.26 | CCCCCCCC(=O)OCC | |
| TCMBANKIN060944 | nonanoic acid | C9H18O2 | 158.24 g/mol | CCCCCCCCC(=O)O | |
| TCMBANKIN060954 | Undecenal | C11H20O | 168.28 g/mol | CCCCCCCCC=CC=O | |
| TCMBANKIN060958 | oleic acid;cis-oleic acid;oleinic acid | C18H34O2 | 282.46 | CCCCCCCCC=CCCCCCCCC(=O)O | |
| TCMBANKIN060973 | malic acid | C18H32O2 | 280.4 g/mol | CCCCCCCCC1=C(C1)CCCCCCC(=O)O | |
| TCMBANKIN060977 | decanoic acid | C10H19O2- | 171.26 g/mol | CCCCCCCCCC(=O)[O-] | |
| TCMBANKIN061004 | dodecanoic acid | C12H23O2- | 199.31 g/mol | CCCCCCCCCCCC(=O)[O-] | |
| TCMBANKIN061016 | tridecane | C13H28 | 184.36 g/mol | CCCCCCCCCCCCC | |
| TCMBANKIN061038 | Gaidic acid | C16H30O2 | 254.41 g/mol | CCCCCCCCCCCCCC=CC(=O)O | |
| TCMBANKIN061043 | MYS | C15H32 | 212.41 | CCCCCCCCCCCCCCC | |
| TCMBANKIN061044 | Pentadecanoate | C15H29O2- | 241.39 g/mol | CCCCCCCCCCCCCCC(=O)[O-] | |
| TCMBANKIN061058 | n-hexadecane | C16H34 | 226.44 g/mol | CCCCCCCCCCCCCCCC | |
| TCMBANKIN061071 | Ethylpalmitate | C18H36O2 | 284.5 g/mol | CCCCCCCCCCCCCCCC(=O)OCC | |
| TCMBANKIN061080 | octadecenoic acid;2-Octadecenoic acid;trans-2-oleic acid | C18H34O2 | 282.5 g/mol | CCCCCCCCCCCCCCCC=CC(=O)O | |
| TCMBANKIN061081 | PLY | C16H32O | 240.42 g/mol | CCCCCCCCCCCCCCCC=O | |
| TCMBANKIN061085 | n-heptadecane;heptadecane;Heptadekan | C17H36 | 240.5 g/mol | CCCCCCCCCCCCCCCCC | |
| TCMBANKIN061091 | stearic acid | CH3(CH2)16COOH | 284.5 g/mol | CCCCCCCCCCCCCCCCCC(=O)O | |
| TCMBANKIN061098 | Stearaldehyde | C18H36O | 268.5 g/mol | CCCCCCCCCCCCCCCCCC=O | |
| TCMBANKIN061101 | Nonadecylic acid | C19H38O2 | 298.5 g/mol | CCCCCCCCCCCCCCCCCCC(=O)O | |
| TCMBANKIN061136 | n-heptacosane | C27H56 | 380.73 | CCCCCCCCCCCCCCCCCCCCCCCCCCC | |
| TCMBANKIN061140 | Melissic acid | C30H60O2 | 452.8 g/mol | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O | |
| TCMBANKIN061163 | 1-NONADECANOL | C19H40O | 284.52 | CCCCCCCCCCCCCCCCCCCO | |
| TCMBANKIN061170 | heptadecanol | C17H36O | 256.47 | CCCCCCCCCCCCCCCCCO | |
| TCMBANKIN061177 | dodecanol | C12H26O | 186.33 g/mol | CCCCCCCCCCCCO | |
| TCMBANKIN061194 | 1-hexanol | C6H14O | 102.17 g/mol | CCCCCCO | |
| TCMBANKIN061219 | BUCB | C8H18O3 | 162.23 g/mol | CCCCOCCOCCO | |
| TCMBANKIN061252 | ethyl chlorogenate; chlorogenic acid ethyl ester | C18H22O9 | 382.4 g/mol | CCOC(=O)C1(CC(C(C(C1)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O)O | |
| TCMBANKIN061255 | Ethyl protocatechuate | C9H10O4 | 182.17 | CCOC(=O)C1=CC(=C(C=C1)O)O | |
| TCMBANKIN061405 | diethyl phthalate | AN-24076; ST50406385; DSSTox_CID_1780; Anozol; 1,2-Benzenedicarboxylic acid, 1,2-dimethyl ester; WLN: 2OVR BVO2; DTXSID7021780; methyl 2-(methoxycarbonyl)benzoate; diethyl benzene-1,2-dicarboxylate; ST50406382; Diethyl phthalate [NF]; Dimethyl phthalate, SAJ special grade, >=99.0%; Diethyl phthalate, 99.5%; Unimoll DM; AJ-07993; Methyl phthalate; RTR-030992; NCI-C60048; Diethyl phthalate, LR, >=99%; Kodaflex DEP; CHEBI:4609; NCGC00090692-02; 1,2-Benzenedicarboxylic acid, di-C4-13-alkyl esters; Diethyl o-phthalate; Diethylphthalate; HMS2233J05; NCGC00254098-01; Dimethyl orthophthalate; Neantine; Diethyl ester of 1,2-Benzenedicarboxylic acid; MLS002177801; NCGC00090692-01; Dimethyl-1,2-benzenedicarboxylate; NCGC00259423-01; ACN-S002427; Tox21_300183; EPA Pesticide Chemical Code 028002; AC1Q64KI; KSC448E0D; AN-1576; EC 201-550-6; Tox21_201874; HMS3369G01; Phthalsaeurediaethylester [German]; 1,2-benzenedicarboxylic acid diethyl ester; Phthalsaeuredimethylester [German]; C-34265; phthalic acid diethyl ester; BIDD:ER0639; Diethyl phthalate/dimethyl phthalate; 1,2-benzenedicarboxylic acid 1,2-dimethyl ester; SC-79614; F1908-0104; NCGC00090974-02; LS-1838; Phthalic acid, bis-C6-C8-branched alkyl esters C7-rich; ethyl 2-(ethoxycarbonyl)benzoate; dimethyl-phthalate; NCGC00090692-04; MLS001336022; Dimethyl 1,2-benzendicarboxylate; Epitope ID:140105; CHEMBL388558; Diethyl phthalate, 99%; Diethylester kyseliny ftalove; A10802; AK-98162; Diethyl phthalate (NF); BIDD:ER0349; FLKPEMZONWLCSK-UHFFFAOYSA-N; CHEMBL323348; P0302; NSC8905; o-Bis(ethoxycarbonyl)benzene; Phthalic acid diethyl; Phthalic acid, dimethyl ester; BENZENE,1,2-DICARBOXYLIC ACID,DIMETHYL ESTER (PHTHALIC ACID,DIMETHYL ESTER); CTK3E8201; NCGC00090974-03; RCRA waste number U102; 1,2-dimethyl phthalate; NSC-15398; MLS002152901; Kodaflex DMP; STL283931; RCRA waste no. U088; Repeftal; Tox21_301045; CJ-03533; Dimethyl phthalate, PESTANAL(R), analytical standard; o-Benzenedicarboxylic acid, diethyl ester; Dimethyl phthalate [BSI:ISO]; Solvanol; solvano l; Diethyl Phthalate MIL-D-242 Mil Spec; MFCD00009111; AKOS000119867; Dimethyl o-phthalate; diethylphthalate; CCRIS 2675; Tox21_202145; RP25304; NCGC00090692-03; ANW-75577; BDBM50090983; NCGC00090974-01; DTXSID3022455; BBL011577; Phthalic acid dimethyl ester; Estol 1550; Dimethylester kyseliny ftalove [Czech]; MCULE-5213082728; NCGC00090692-05; CTK0H7522; NSC 8905; Dimethyl phthalate; DPX-F5384; ACMC-20aj0r; Palatinol A; MLS002177800; CHEBI:34698; D03804; I952; NCGC00090692-06; Dimethylester kyseliny ftalove; NSC15398; BRN 1912500; Q-200982; UNII-UF064M00AF; EN300-18366; InChI=1/C12H14O4/c1-3-15-11(13)9-7-5-6-8-10(9)12(14)16-4-2/h5-8H,3-4H2,1-2H; ZB012098; DIETHYL PHTHALATE; Phthalol; Diethyl 1,2-benzenedicarboxylate; Diethyl phthalate, >=99.5%; Fermine; Kemester DMP; SCHEMBL34630; SMR000777937; 1,2-Diethyl phthalate; MFCD00008425; dimethyl benzene-1,2-dicarboxylate; NE10578; DMF, insect repellent; Diethyl phthalate, United States Pharmacopeia (USP) Reference Standard; CCRIS 2674; 68988-18-1; EINECS 201-550-6; ACMC-1BF2T; Diethyl Phthalate [USAN]; Phthalic acid, bis-isononyl ester; AI3-00262; KB-251524; EINECS 273-520-0; Dimethyl phthalate, 99%; C14175; KSC177K2F; FT-0625095; Dimethyl 1,2-benzenedicarboxylate; HSDB 1641; CAS-131-11-3; 1,2-Benzenedicarboxylic acid, diethyl ester; AC1L1NAJ; EINECS 205-011-6; DMF (insect repellant); Avolin; Phtalate de dimethyle [ISO-French]; DSSTox_RID_76323; HSDB 926; o-Benzenedicarboxylic acid diethyl ester; CAS-84-66-2; Diethyl-o-phthalate; Z57902306; Phtalate de dimethyle; AKOS008969337; TR-030992; Diethyl phthalate, >=99%; 1,2-Benzenedicarboxylic acid, 1,2-diethyl ester; I01-6179; J-005938; Tox21_113536; 1352054-35-3; UF064M00AF; TR-004245; C11233; Uniplex 110; Diethyl Phthalate Metal Plastic IBC/Tote; 84-66-2; KS-00000VLC; Phthalsaeuredimethylester; Caswell No. 380; Diethyl phthalate, PESTANAL(R), analytical standard; NIQCNGHVCWTJSM-UHFFFAOYSA-N; MCULE-8221041887; Phthalic acid, diethyl ester; SBB060561; Mipax; WLN: 1OVR BVO1; Diethyl Phthalate, Pharmaceutical Secondary Standard; Certified Reference Material; Diethyl o-phenylenediacetate; InChI=1/C10H10O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h3-6H,1-2H; Phthalic acid, bis-methyl ester; Di-n-ethyl phthalate; Diethylester kyseliny ftalove [Czech]; NCGC00259694-01; CC-26717; DSSTox_CID_2455; BC222737; 1,2-Benzenedicarboxylic acid, dimethyl ester; MolPort-000-644-140; benzene-1,2-dicarboxylic acid dimethyl ester; ANW-19261; Benzenedicarboxylic acid, dimethyl ester; NSC 15398; Diethylphthalate, A-A-59314, JAN-D-242; Dimethyl benzeneorthodicarboxylate; PHTHALIC ACID,DIETHYL ESTER; Unimoll DA; Tox21_111050; ZINC1287; NSC-8905; Dimethyl phthalate, >=99%; diethyl phtalate; Diethyl phthalate, European Pharmacopoeia (EP) Reference Standard; bmse000846; Solvanom; AI3-00329; Density Standard 1191 kg/m3; I01-9418; Benzenedicarboxylic acid, diethyl ester; Solvarone; MolPort-003-905-624; Dimethyl benzene-o-dicarboxylate; AX8124754; 4-09-00-03172 (Beilstein Handbook Reference); DSSTox_GSID_22455; MLS001336021; Phthalic acid, bis-iso-nonyl ester; Diethyl phthalate, SAJ special grade, >=98.0%; diethyl-phthalate; FT-0624802; RCRA waste no. U102; RP27382; Diethyl phthalic acid; ZB000300; 1,2-dimethyl benzene-1,2-dicarboxylate; LS-737; NCGC00254947-01; Density Standard 1191 kg/m3, H&D Fitzgerald Ltd. Quality; ZINC391885; CS-0013981; STL163320; P0296; ST24046564; SBB060335; Dimethyl phthalate [USP]; Phthalsaeurediaethylester; 131-11-3; DIMETHYLPHTHALATE; 08X7F5UDJM; Palatinol M; DSSTox_GSID_21780; RCRA waste number U088; NCGC00090974-04; 1,dimethyl ester; Placidol E; DSSTox_RID_76596; Diethyl-1,2-benzenedicarboxylate; SMR000857334; NCGC00090974-06; UNII-08X7F5UDJM; RTR-004245; Phthalic acid, bis-isononyl ester 10 microg/mL in Cyclohexane; ENT 262; benzene-1,2-dicarboxylic acid diethyl ester; Phthalic acid, bis-ethyl ester; DB-062803; Ethyl phthalate; SCHEMBL22296; AC1Q42D5; BB_SC-7041; EC 205-011-6; NCGC00090974-05; AC1L1R8D | C12H14O4 | 222.24 | COC(=O)C1=CC=CC=C1C(=O)OC |
| TCMBANKIN061508 | methyleugenol | 29T9VA6R7M; 1,4-Eugenol methyl ether; DSSTox_RID_77851; FEMA No. 2475; MLS001333206; ST24043178; ST50330558; Benzene,2-dimethoxy-4-(2-propenyl)-; FR-0577; NCGC00254085-01; CTK3J0502; HMS2269M09; HSDB 4504; 3,4-Dimethoxyallyl benzene; NSC-8900; Tox21_202347; ENT 21040; SBB007916; NCGC00091474-04; C10454; o-Methyl eugenol ether; NSC209528; ACMC-209rk6; MolPort-000-154-691; Eugenyl methyl ether; AS-14807; Tox21_300071; STK801819; Benzene, 4-allyl-1,2-dimethoxy-; CAS-93-15-2; NSC 209528; AK162493; FEMA Number 2475; Methyl eugenol, analytical standard; NSC8900; TRA0076734; Methyleugenol; LS-29885; AC1L1O2J; BRN 1911284; MLS001065600; 2-Methoxy-4-propenylphenol methyl ether; 3-06-00-04995 (Beilstein Handbook Reference); cis-Methyl isoeugenol; W247502_ALDRICH; RTR-029187; 1-(3, 4-Dimethoxyphenyl)-2-propene; DSSTox_CID_5607; 10005-561a; methyl eugenol; 3-(3,4-dimethoxyphenyl)-1-propene; O-Methyl eugenol; NSC-209528; CHEMBL108861; 4-Allylveratrol; SMR000112378; Methyl eugenol; W-100251; 1-(3,4-Dimethoxyphenyl)-2-propene; BG00601894; 1,2-dimethoxy-4-prop-2-enylbenzene; ZINC388674; 4-Allylveratrole; BB_NC-0711; 4-06-00-06337 (Beilstein Handbook Reference); CCRIS 746; Allyl-1,2-dimethoxybenzene; Allylveratrol; ZINC00388674; Methy l eugenyl ether; Dimethoxy-4-(2-propenyl)benzene; DSSTox_GSID_25607; EC 202-223-0; 1, 2-Dimethoxy-4-(2-propenyl)benzene; Methyl eugenol ether; M664; Benzene, 1,2-dimethoxy-4-propenyl-, (Z)-; BDBM50379791; 46110_FLUKA; Caswell No. 579AB; 1,2-Dimethoxy-4-allyl benzene; AIDS-224738; FT-0626371; METHYLEUGENOL; 1,3,4-Eugenol methyl ether; DTXSID5025607; AIDS224738; Eugenol methyl ether; Methyleugenol (4-Allyl-1,2-dimethoxybenzene); WLN: 1U2R CO1 DO1; Benzene, 1,2-dimethoxy-4-(2-propenyl)-; C11H14O2; NCGC00259896-01; 6380-24-1; KS-000001JX; 93-15-2; MFCD00008652; BBL027720; 284424_ALDRICH; ZYEMGPIYFIJGTP-UHFFFAOYSA-N; 1,2-dimethoxy-4-(prop-2-en-1-yl)benzene; Benzene, 4-(2-propenyl)-1,2-dimethoxy; BRN 1910871; TR-029187; Methyl Eugenol Natural; DB-002806; 1,2-dimethoxy-4-prop-2-enyl-benzene; 4-Allyl-1,2-dimethoxybenzene; EINECS 202-223-0; KB-177539; 1,2-Dimethoxy-4-allylbenzene; SCHEMBL10108224; AN-24255; LS-15; Veratrole methyl ether; AC1Q46TK; NCGC00091474-01; AC1Q4FDV; BBV-39688198; 1,2-Dimethoxy-4-(2-propen-1-yl)benzene; NCGC00091474-02; 4-Allyl-1,2-dimethoxybenzene, 99%; 3,4-Dimethoxyallylbenzene; MLS001333205; BB_NC-00711; ANW-39988; 1,2-Dimethoxy-4-(2-propenyl)benzene; methyl eugenol ; 4-Allyl-1,2-dimethyoxybenzene; EPA Pesticide Chemical Code 203900; AKOS015838877; FEMA 2475; cis-4-Propenyl veratrole; Methyl eugenol, >=98%, FCC; CHEBI:4918; 4-allyl-1,2-dimethoxy-benzene; AX8129901; Eugenol methyl; UNII-29T9VA6R7M; Benzene, 1,2-dimethoxy-4-(2-propen-1-yl)-; Eugenol methylether; SCHEMBL113794; NCGC00091474-03; AI3-21040; 1-Allyl-3,4-dimethoxybenzene; 4-Allyl-1, 2-dimethoxybenzene; Methyl eugenyl ether; O-Methyleugenol;eugenyl methylether;Benzene, 1,2-dimethoxy-4-(2-propenyl)-;eugenol methyl ether;1,2-dimethoxy-4-(2-propenyl)benzene;Methyleugenol-;SCHEMBL219169;1,2-Dimethoxy-4-(2-propenyl)benzene | C11H14O2 | 178.23g/mol | COC1=C(C=C(C=C1)CC=C)OC |
| TCMBANKIN061812 | ANN | CHEBI:40813; Anisic acid, p-isomer; ANISIC ACID, PARA; 4-10-00-00346 (Beilstein Handbook Reference); EINECS 202-818-5; C02519; 10550_FLUKA; p-Anisic acid; 4-Methoxybenzoic acid; p-Methoxybenzoic acid; ST5213868; 4-Anisic acid; NCIOpen2_004706; W394505_ALDRICH; NSC32742; 84688_FLUKA; AIDS018080; 117390_ALDRICH; Benzoic acid, 4-methoxy-; 100-09-4; InChI=1/C8H8O3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10; AI3-00893; AE-848/32075009; AIDS-018080; NSC7926; Draconic acid; EINECS 215-618-8; BRN 0508910; 1335-08-6; Kyselina 4-methoxybenzoova [Czech]; NSC 32742; ANISIC ACID;p-anisic acid;anisicacid;4-methoxy benzoic acid;4-anisate; 4-Methoxybenzoate; Methoxybenzoic acid; anisic acid; BDBM23435; 4-methyoxybenzoate ion; A800042; p-methoxybenzoate; 4-Methoxybenzoic acidanion; CHEBI:16639; p-anisate; AC1MX20M; 4-methoxybenzoate, 4; ZB010665; 16285-97-5; CJ-02856; 4-methoxy benzoic acid; p-methoxybenzoic acid | C8H8O3 | 152.15 | COC1=CC=C(C=C1)C(=O)O |
| TCMBANKIN061849 | 1-methoxy-4-(2-propenyl)-benzene | 4-Allylanisole;estragole;esdragol;Terragon;methylchavicol;CCRIS 1317; MolPort-000-156-967; MFCD00008653; Estragol (methylchavicol); DSSTox_CID_575; Anisole, p-allyl-; Esdragol; 1-allyl-4-methoxy-benzene; DTXSID0020575; 4-allylanisol; Methyl chavicole (estragole); p-Methoxyallylbenzene; Benzene, 1-methoxy-4-(2-propen-1-yl)-; NCGC00091434-01; chavicyl methylether; CTK7A3557; Methyl chavicole; UNII-9NIW07V3ET; Estragol; SR-01000838348; 4-06-00-03817 (Beilstein Handbook Reference); Ether, p-allylphenyl methyl; NSC 404113; Tarragon; 140-67-0; DSSTox_RID_75667; O080; Chavicol methyl ether; Benzene, 1-methoxy, 4-prop-2-enyl; AK109291; FEMA No. 2411; p-Allylphenyl methyl ether; p-allylanisole, 4-allyl-1-methoxybenzene, methyl chavicol; Chavicol, O-methyl-; NSC-404113; CHEMBL470671; CCG-214642; 4-Allylanisole, analytical standard; FEMA 2411; 1-METHOXY-4-(2-PROPENYL)BENZENE; FEMA Number 2411; EPA Pesticide Chemical Code 062150; 4-Allylmethoxybenzene; Benzene, 1-methoxy-4-(2-propenyl)-; HMS2268E24; SMR000112379; p-Allylanisole; SPECTRUM1505117; 1-methoxy-4-(prop-2-en-1-yl)benzene; Chavicyl methyl ether; chavicol methylether; C10452; NCI-C60946; Allylphenyl methyl ether, p-; estragon;p-allylanisole; EINECS 205-427-8; AI3-16052; Esteragol; ZINC967635; 4-Allylanisole, purum, >=97.0% (GC); CHEBI:4867; 1407-27-8; Estragole (natural); NCGC00259936-01; MLS001065575; 1-methoxy-4-prop-2-enylbenzene; Methyl chavicol; AC1Q4FE9; 1-Methoxy-4-(2-propen-1-yl)-Benzene; Methylchavicol; Chavicol, methyl-; p-Allyl-Anisole; ACMC-1BW75; KB-36193; 3-(p-Methoxyphenyl)propene; 1-methoxy-4-(2-propenyl)-benzene; InChI=1/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3,5-8H,1,4H2,2H; AKOS000121300; p-Allylmethoxybenzene; Methyl-Chavicol; AC1L1RR7; Tox21_302930; 3-(4-Methoxyphenyl)-1-propene; ST50824126; BRN 1099454; Isoanthethole; LS-821; Esdragon; ZFMSMUAANRJZFM-UHFFFAOYSA-N; I01-10181; Estragole, analytical standard; 9NIW07V3ET; O-Methyl-Chavicol; Terragon; 4-Allyl-1-methoxybenzene; BENZENE,1-ALLYL,4-METHOXY METHYLCHAVICOL; HSDB 5412; 4-Allylanisole, 98%; Chavicyl methyl ether; AN-17349; 1-Methoxy-4-(2-propenyl)benzene, 9CI; A0702; 4-Allylanisole; para-allylanisole; AC1Q4CFH; SCHEMBL57204; WLN: 1U2R DO1; SR-01000838348-2; FT-0617414; J-007415; NCGC00091434-02; TC-109325; CAS-140-67-0; isoanethole, 4-Allylanisole; ANW-20580; 4-Methoxyallylbenzene; Tox21_202387; Estragole; NSC404113; Esdragole; 77525-18-9; AJ-24538; DSSTox_GSID_20575; NCGC00091434-03; Para-allylanisole (estragole); ZB015470; BENZENE,1-ALLYL,4-METHOXY METHYLCHAVICOL; 1-Allyl-4-methoxybenzene; NCGC00256481-01; 4-Allylanisole, >=98%, FCC; 1-Methoxy-4-(2-propen-1-yl)benzene; Isoanethole;34098_RIEDEL; 3-(p-Methoxyphenyl)propene; InChI=1/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3,5-8H,1,4H2,2H; 1-METHOXY-4-(2-PROPENYL)BENZENE; Anisole, p-allyl-; EPA Pesticide Chemical Code 062150; 1-allyl-4-methoxy-benzene; Esdragol; FEMA Number 2411; p-Allylmethoxybenzene; NCGC00091434-02; 4-Allylmethoxybenzene; Benzene, 1-methoxy-4-(2-propenyl)-; p-Methoxyallylbenzene; 4-Methoxyallylbenzene; BRN 1099454; WLN: 1U2R DO1; SPECTRUM1505117; p-Allylanisole; LS-821; Esdragon; NCGC00091434-01; Estragol; Chavicyl methyl ether; C10452; Estragole; 4-06-00-03817 (Beilstein Handbook Reference); NSC404113; Esdragole; NCI-C60946; NSC 404113; 77525-18-9; 4-Allyl-1-methoxybenzene; Tarragon; 140-67-0; Allylphenyl methyl ether, p-; HSDB 5412; EINECS 205-427-8; ZINC00967635; AI3-16052; Isoanethole; 1-methoxy-4-prop-2-enyl-benzene; A29208_ALDRICH; 05820_FLUKA; Chavicol methyl ether; 05818_FLUKA; BENZENE,1-ALLYL,4-METHOXY METHYLCHAVICOL; 1407-27-8; W241105_ALDRICH; Estragole (natural); 1-Allyl-4-methoxybenzene; FEMA No. 2411; 4-Allylanisole; 1-Methoxy-4-(2-propen-1-yl)benzene; Chavicol, O-methyl-; 1-methoxy-4-prop-2-enylbenzene; Methyl chavicol; Methylchavicol | C10H12O | 148.2 g/mol | COC1=CC=C(C=C1)CC=C |
| TCMBANKIN061856 | Anis alcohol | Anisyl alcohol (natural); NSC 2151; 4-Methoxybenzyl alcohol; Anise alcohol; 4-06-00-05909 (Beilstein Handbook Reference); BRN 0636654; EINECS 203-273-6; 64840_FLUKA; W209902_ALDRICH; WLN: Q1R DO1; W209910_ALDRICH; Anisic alcohol; Anisalcohol, p-; 524654_ALDRICH; p-Anisol alcohol; Anisyl alcohol; 136905_ALDRICH; JandaJel-Wang; InChI=1/C8H10O2/c1-10-8-4-2-7(6-9)3-5-8/h2-5,9H,6H2,1H; Benzenemethanol, 4-methoxy-; 105-13-5; NSC2151; 4-Methoxybenzenemethanol; 185532-75-6; CCRIS 5111; 524646_ALDRICH; FEMA No. 2099; p-Methoxybenzyl alcohol; (4-methoxyphenyl)methanol; 524662_ALDRICH; LS-2359; ZINC00388232; Benzyl alcohol, p-methoxy-; AI3-01170; p-Anisyl alcohol;p-methoxybenzyl alcohol | C8H10O2 | 138.16 | COC1=CC=C(C=C1)CO |
植物对应的疾病
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植物对应的靶点
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