Plant Summary
Plant Information
TCMBank_ID: | TCMBANKHE004258 |
ID: | TCMBANKHE004258 |
植物拉丁名: |
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功能与主治: | To enrich blood, activate blood circulation, regulate menstruation, relieve pain, and relax bowels./Women’s diseases, blood deficiency syndrome, menstrual disorder, amenorrhea and dysmenorrhea, dysmenorrhea due to anemia, thrombophlebitis, neuralgia, arthritis, chronic nephritis, constrictive aortitis, blood vaculty, pernicious anemia, anemia due to folic acid deficiency, dysentery, hepatitis, Raynaud’s disease, lumbago, various pains due to blood stasis and rheumatic impediment, sores, welling abscess, constipation, ulcer in gastrointestinal tract, skin diseases, eczema, dermatitis, neurodermatitis, psoriasis. |
药用植物名: | 当归根 |
药用部位: | root |
药味: | Warm; Pungent; Sweet |
经络: | Spleen; Liver; Heart |
临床特征: | 1. Dilating coronary artery, increasing coronary flow and decreasing oxygen consumption. 2. Relieving myocardial ichemia induced by pituitrin in animals. 3. Ferulic acid, one of its active components, can lower the level of blood lipids and counter the de |
治疗类型: | 补血药 |
TCM_ID_id: | 2538 |
SymMap_id: | 95 |
TCMSP_id: | 202 |
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 |
|---|
| TCMBANKIN000015 | brefeldin a | (7S,15S,1R)-2,15-dihydroxy-7-methyl-6-oxabicyclo[11.3.0]hexadeca-3,11-dien-5-o ne; AC1O5L8S; AKOS024282481; SR-01000597412-1; MolPort-004-955-162; NCGC00025061-02; UPCMLD-DP095:002; NCGC00025061-03; IDI1_033950; (2E,7S,10E,12R,13R,15S)-12,15-dihydroxy-7-methyl-8-oxabicyclo[11.3.0]hexadeca-2,10-dien-9-one; SR-01000597412; HMS1361J22; 1,6,7,8,9,11a?,12,13,14,14?a-Decahydro-1?,13?-dihydroxy-6?-methyl-4H-cyclopent(f)oxacyclotridecin-4-one; ST056354; UPCMLD-DP095; 4H-Cyclopent(f)oxacyclotridecin-4-one,1,6,7,8,9,11a-beta,12,13,14,14a-alpha-decahydro-1-beta-13-alpha-dihydroxy-6-beta-methyl-; LS-58416; CCG-208020; NSC-89671; NSC 56310; 1,6,7,8,9,11a,12,13,14,14a-Decahydro-1,13-dihydroxy-6-methyl-4H-cyclopent[f]oxacyclotridecin-4-one; (1R,6S,13S,14AR)-1,13-DIHYDROXY-6-METHYL-1H,6H,7H,8H,9H,11AH,12H,13H,14H,14AH-CYCLOPENTA[F]OXACYCLOTRIDECAN-4-ONE; HMS1989J22; 4H-Cyclopent(f)oxacyclotridecin-4-one, 1,6,7,8,9,11a-beta,12,13,14,14a-alpha-decahydro-1-beta-13-alpha-dihydroxy-6-beta-methyl-; NCGC00017254-03; CHEMBL1572153; HMS3402J22; HMS1791J22; UPCMLD-DP095:001; NCGC00017254-04; brefeldin A; Cyanaein; G405; 20350-15-6; SCHEMBL12648486; Cyanein; BSPBio_001480; Decumbin; (+)-Brefeldin A, Eupenicillium brefeldianum; C16H24O4 | C16H24O4 | 280.36 g/mol | CC1CCCC=CC2CC(CC2C(C=CC(=O)O1)O)O |
| TCMBANKIN000094 | choline | Choline chloride; choline hydroxide | C5H14NO+ | 104.17 g/mol | C[N+](C)(C)CCO |
| TCMBANKIN000374 | 2-Methylhexadecanoic acid | C18H36O2 | 284.48 | CCCCCCCCCCCCCCC(C)C(=O)O | |
| TCMBANKIN000519 | ETHYLBENZALDEHYDE | ZINC02003388; Benzaldehyde, P-ethyl-; 4748-78-1; ST5213337; BENZALDEHYDE,4-ETHYL; Ethyl benzaldehyde; EINECS 225-268-8; Ethylbenzaldehyde, p-; FEMA No. 3756; InChI=1/C9H10O/c1-2-8-3-5-9(7-10)6-4-8/h3-7H,2H2,1H; Benzaldehyde, 4-ethyl-; W375608_ALDRICH; 233633_ALDRICH; Benzaldehyde, ethyl-; 4-ETHYLBENZALDEHYDE; 53951-50-1; p-Ethylbenzaldehyde | C9H10O | 134.18 | CCC1=CC=C(C=C1)C=O |
| TCMBANKIN000855 | 2,5-Dimethylfuran | 625-86-5; EINECS 210-914-3; 177717_ALDRICH; AI3-21212; NCGC00091694-01; InChI=1/C6H8O/c1-5-3-4-6(2)7-5/h3-4H,1-2H; W410601_ALDRICH; WLN: T5OJ B1 E1; 40290_FLUKA; NSC6220; NSC 6220; Furan, 2,5-dimethyl-; CCRIS 3158; ZINC01693339 | C6H8O | 96.13 | CC1=CC=C(O1)C |
| TCMBANKIN000885 | Sebiferic acid | AC1NT0B0; 3-[4,9,10,14-tetramethyl-3,17-bis(prop-1-en-2-yl)-2,3,5,6,7,8,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-4-yl]propanoic acid; sebiferic acid; sebifericacid; 3-[1,2,6,11-tetramethyl-5,14-bis(prop-1-en-2-yl)tetracyclo[8.7.0.0;{2,7}.0;{11,15}]heptadecan-6-yl]propanoic acid | C30H48O2 | 440.7 | CC(=C)C1CCC2(C1CCC3(C2CCC4C3(CCC(C4(C)CCC(=O)O)C(=C)C)C)C)C |
| TCMBANKIN000898 | Uralene | 5,6,3',4'-Tetrahydroxy-3-methoxy-6'-isoprenylflavone; 2-[4,5-dihydroxy-2-(3-methylbut-2-enyl)phenyl]-5,6-dihydroxy-3-methoxy-4-chromenone; 2-(4,5-Dihydroxy-2-(3-methylbut-2-en-1-yl)phenyl)-5,6-dihydroxy-3-methoxy-4H-chromen-4-one; SCHEMBL3977970; LMPK12111615; 4',5,5',6-tetrahydroxy-3-methoxy-2'-prenylflavone; AC1Q6E0V; AKOS030553602; uralene; 4H-1-Benzopyran-4-one, 2-(4,5-dihydroxy-2-(3-methyl-2-butenyl)phenyl)-5,6-dihydroxy-3-methoxy-; 2-[4,5-dihydroxy-2-(3-methylbut-2-enyl)phenyl]-5,6-dihydroxy-3-methoxy-chromen-4-one; AC1L4UEU; 2-[4,5-dihydroxy-2-(3-methylbut-2-enyl)phenyl]-5,6-dihydroxy-3-methoxy-chromone; 150853-99-9; 2-[4,5-Dihydroxy-2-(3-methyl-2-butenyl)phenyl]-5,6-dihydroxy-3-methoxy-4H-1-benzopyran-4-one; AK583653; 2-[4,5-dihydroxy-2-(3-methylbut-2-enyl)phenyl]-5,6-dihydroxy-3-methoxychromen-4-one | C21H20O7 | 384.38 | CC(=CCC1=CC(=C(C=C1C2=C(C(=O)C3=C(O2)C=CC(=C3O)O)OC)O)O)C |
| TCMBANKIN001719 | lecithin | phosphatidylcholine; 1-Lignoceryl-2-eicsoic acid; 1-Lignoceryl-2-eicsoate; 1-Lignoceryl-2-eicsoatetraenoyl-sn-glycero-3-phosphocholine | C52H98NO7P | 880.3 g/mol | CCCCCCCCCCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC |
| TCMBANKIN001810 | camphoricacid | camphoric acid | C10H16O4 | 200.23 g/mol | CC1(C(CCC1(C)C(=O)O)C(=O)O)C |
| TCMBANKIN001890 | cis-ligustilide | (3E)-3-butylidene-4,5-dihydro-2-benzofuran-1-one; (3E)-3-butylidene-4,5-dihydroisobenzofuran-1-one | C12H14O2 | 190.24 | CCCC=C1C2=C(C=CCC2)C(=O)O1 |
| TCMBANKIN002716 | L-beta,gamma-Dimyristoyl-alpha-cephalin | [(2R)-1-(2-aminoethoxy-hydroxy-phosphoryl)oxy-3-tetradecanoyloxy-propan-2-yl] tetradecanoate; myristic acid [(1R)-1-[(2-aminoethoxy-hydroxy-phosphoryl)oxymethyl]-2-tetradecanoyloxy-ethyl] ester; Dimyristoyl-L-alpha-phosphatidylethanolamine; P5693_SIGMA; 3-sn-Phosphatidylethanolamine, 1,2-dimyristoyl; [(2R)-1-(2-aminoethoxy-hydroxyphosphoryl)oxy-3-tetradecanoyloxypropan-2-yl] tetradecanoate; tetradecanoic acid [(1R)-1-[(2-aminoethoxy-hydroxyphosphoryl)oxymethyl]-2-(1-oxotetradecoxy)ethyl] ester; [(1R)-1-[(2-aminoethoxy-hydroxy-phosphoryl)oxymethyl]-2-tetradecanoyloxy-ethyl] tetradecanoate | 635.97 | ||
| TCMBANKIN002907 | guanosine | Guanosine, hydrate; s3068; CTK0F0492; Guanosine hydrate (1:1); 2-amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-1,9-dihyd; YCHNAJLCEKPFHB-GWTDSMLYSA-N; Guanosine, hydrate (1:1); Z-4761; SCHEMBL555106; AK645793; 1143525-19-2; MolPort-003-935-435; guanosine-hydrate; AK607682; 2-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-1H-purin-6(9H)-one hydrate(1:x); 2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6,9-dihydro-1H-purin-6-one hydrate; 2451AH; 294B1373-E8C3-442D-8240-D7EA2650B160; AKOS030573276; 141433-61-6; ro-6H-purin-6-one hydrate; 2-amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-1,9-dihydro-6H-purin-6-one hydrate; Guanosine Hydrate; B3678 | C10H13N5O5 | 283.24 | C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(NC2=O)N |
| TCMBANKIN002954 | vanillin acetate | A842489; UJGRGFLENARMJS-UHFFFAOYSA-N; ANW-38959; ACMC-209qrl; ACETIC ACID; VANILLIN; AKOS025244005; KB-62228; TRA0058976; TC-127704; ethanoic acid; 3-methoxy-4-oxidanyl-benzaldehyde; SCHEMBL81718; acetic acid; 4-hydroxy-3-methoxybenzaldehyde | C10H12O5 | 212.2 g/mol | CC(=O)O.COC1=C(C=CC(=C1)C=O)O |
| TCMBANKIN003119 | 12-O-Nicotinoylisolineolone | 12-o-nicotinoylisolineolone; AC1NSZ3Z; [(3S,8S,10R,12R,13S,14R,17S)-17-acetyl-3,8,14-trihydroxy-10,13-dimethyl-2,3,4,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-12-yl] pyridine-3-carboxylate | 469.63 | CC(=O)C1CCC2(C1(C(CC3C2(CC=C4C3(CCC(C4)O)C)O)OC(=O)C5=CN=CC=C5)C)O | |
| TCMBANKIN004088 | Maruzen M | NSC 114470; p-Ethylphenol; 4-Hydroxyphenylethane; SGCUT00257; 04700_FLUKA; BENZENE,1-ETHYL,4-HYDROXY; ZINC01690956; Phenol, p-ethyl-; Poly(4-vinylphenol); 4-06-00-03020 (Beilstein Handbook Reference); 4-Vinylphenol polymer; 29471-88-3; p-Vinylphenol polymer; Phenol, 3(or 4)-ethyl-; AI3-26063; 1-Hydroxy-4-ethylbenzene; 123-07-9; 1-Ethyl-4-hydroxybenzene; 4-Hydroxyethylbenzene; Poly(p-vinylphenol); Phenol, 4-ethenyl-, homopolymer; InChI=1/C8H10O/c1-2-7-3-5-8(9)6-4-7/h3-6,9H,2H2,1H; E44205_ALDRICH; 36724_RIEDEL; EINECS 204-598-6; 24979-70-2; Hydroxyphenylethane, p-; NSC 62012; Phenol, 4-ethyl-; 4-Ethylphenol; C13637; NSC62012; p-Hydroxystyrene polymer; to_000047; para-Ethylphenol; Poly(4-hydroxystyrene); 101052-19-1; ST5331802; Poly(p-hydroxystyrene); W315605_ALDRICH; Phenol, p-vinyl-, polymers; BRN 1363317; FEMA No. 3156; HSDB 5598; 4-ETHENYLPHENOL, HOMOPOLYMER | C8H8O | 120.15 g/mol | C=CC1=CC=C(C=C1)O |
| TCMBANKIN004817 | InChI=1/C15H24/c1-10-7-8-15-9-12(10)14(3,4)13(15)6-5-11(15)2/h7,11-13H,5-6,8-9H2,1-4H | C15H24 | 204.35 | ||
| TCMBANKIN005460 | cis-Isoeugenol | 2-Methoxy-4-propenyl phenol; 5912-86-7; EINECS 227-633-7; cis-2-Methoxy-4-propenylphenol; 4-06-00-06324 (Beilstein Handbook Reference); Isoeugenol cis-form; Phenol, 2-methoxy-4-propenyl-, (Z)-; Isoeugenol (II); 4-PROPENYLGUAIACOL (CIS); 2-methoxy-4-[(Z)-prop-1-enyl]phenol; (Z)-Isoeugenol; BRN 1909603; Phenol, 2-methoxy-4-(1-propenyl)-, (Z)-; cis-4-Propenylguaiacol; (Z)-2-Methoxy-4-(prop-1-enyl)phenol; ZINC05828482 | C10H12O2 | 164.2 | CC=CC1=CC(=C(C=C1)O)OC |
| TCMBANKIN005734 | campheoside i | ||||
| TCMBANKIN005910 | succinic acid(high dose) | ||||
| TCMBANKIN006951 | z-ligustilide | SCHEMBL4087027; KS-00001FIC; AC1LB5PX; 1(3H)-Isobenzofuranone, 3-butylidene-4,5-dihydro-; 81944-08-3; KBioSS_002182; Spectrum4_001816; SpecPlus_000585; KBio2_007318; Z-ligustilide; KBio2_002182; KBioGR_002456; 3-butylidene-4,5-dihydro-2-benzofuran-1-one; 1(3H)-Isobenzofuranone, 3-butylidene-4,5-dihydro-, (E)-; KBio2_004750; 4CN-0424; KBio1_001625; 3-butylidene-4,5-dihydro-2-benzofuran-1(3h)-one; 3-butylidene-4,5-dihydrophthalide; CTK3E3664; DivK1c_006681; AKOS028108679; CTK3E8444; FT-0654457; CTK6D4395; Spectrum_001702 | C12H14O2 | 190.24 g/mol | CCCC=C1C2=C(C=CCC2)C(=O)O1 |
| TCMBANKIN007072 | 80-57-9 | Bicyclo(3.1.1)hept-3-en-2-one, 4,6,6-trimethyl-; (1R,5R)-2,7,7-trimethylbicyclo[3.1.1]hept-2-en-4-one; (1R,5R)-2,7,7-trimethyl-4-bicyclo[3.1.1]hept-2-enone; EINECS 201-292-4; EPA Pesticide Chemical Code 128986; 4,6,6-Trimethylbicyclo(3.1.1)hept-3-en-2-one; NCGC00142604-01; ZINC00967600; AI3-23127 | C10H14O | 150.22 | CC1=CC(=O)C2CC1C2(C)C |
| TCMBANKIN007684 | 4-ethyl-Tetradecane | C16H34 | 226.44 | CCCCCCCCCCC(CC)CCC | |
| TCMBANKIN007953 | butanoic acid | (R)-3-(tert-Butoxycarbonylamino)-4-(2,5-difluorophenyl)butyric acid; (3R)-3-[(1,1-dimethylethoxycarbonyl)amino]4-(2,5-difluorophenyl)butanoic acid; (R)-b-(Boc-amino)-2,5-difluorobenzenebutanoic acid; AKOS015962698; (3R)-3-[(tert-Butoxycarbonyl)amino]-4-(2,5-difluorophenyl)butanoic acid; (R)-beta-(Boc-amino)-2,5-difluorobenzenebutanoic acid; SCHEMBL1509219; DYAISPAQPPRCQC-LLVKDONJSA-N; 486459-98-7; (3R)-3-[(1,1-Dimethylethoxycarbonyl)amino]-4-(2,5-difluorophenyl)butanoic Acid | C4H8O2 | 88.11 | CC(C)(C)OC(=O)NC(CC1=C(C=CC(=C1)F)F)CC(=O)O |
| TCMBANKIN008020 | 2,4-dimethyl-decane | C12H26 | 170.33 g/mol | CCCCCCC(C)CC(C)C | |
| TCMBANKIN008326 | 7,10-PENTADECADIYNOIC ACID | 22117-06-2; 7,10-pentadecadiynoic acid; pentadeca-7,10-diynoic acid; 7,10-Pentadecadiynoicacid; ACM22117062; CTK1A4127; DTXSID60176634; 7,10-pentadecadiynoicacid; AC1L1KLG | C15H22O2 | 234.33 | CCCCC#CCC#CCCCCCC(=O)O |
| TCMBANKIN008771 | (Z)-2-Hexenyl hexanoate | (E)Hex-2-enyl hexanoate; AI3-35968; hexanoic acid [(E)-hex-2-enyl] ester; EINECS 258-519-5; trans-2-Hexenyl caproate; trans-2-Hexenyl caproate (hexanoate); [(E)-hex-2-enyl] hexanoate; 53398-86-0; Hexanoic acid, (2E)-2-hexenyl ester; Hexanoic acid, 2-hexenyl ester, (E)- | C12H22O2 | 198.3 | CCCCCC(=O)OCC=CCCC |
| TCMBANKIN008870 | (Z)-2-[[(Z)-2-methylbut-2-enoyl]oxymethyl]but-2-enoic acid | 2-Butenoic acid, 2-methyl-, 2-carboxy-2-butenyl ester, (Z,Z)-; 69188-40-5; (Z)-2-[[(Z)-2-methyl-1-oxobut-2-enoxy]methyl]but-2-enoic acid | C10H14O4 | 198.22 | CC=C(C)C(=O)OCC(=CC)C(=O)O |
| TCMBANKIN009104 | (1S,4aR,8aR)-1-isopropyl-7-methyl-4-methylene-2,3,4a,5,6,8a-hexahydro-1H-naphthalene | (1S,4aR,8aR)-7-methyl-4-methylidene-1-propan-2-yl-2,3,4a,5,6,8a-hexahydro-1H-naphthalene | C15H24 | 204.35 | |
| TCMBANKIN009562 | dimethyl camphorate | Camphoric acid, dimethyl ester; methyl 3-(methoxycarbonyl)-2,2,3-trimethylcyclopentanecarboxylate; MolPort-000-474-182; 7282-27-1; AKOS016038829; Dimethyl ester of camphoric acid; dimethyl 1,2,2-trimethylcyclopentane-1,3-dicarboxylate; NSC-408336; SBB038033; CTK6I9813; AK210647; 1,3-dimethyl 1,2,2-trimethylcyclopentane-1,3-dicarboxylate; ST50109313; DTXSID00325043; Dimethyl camphorate; ZX-AL000045; AKOS000267969; 1,2,2-Trimethyl-1,3-cyclopentanedicarboxylic acid dimethyl ester; MCULE-9394158015; Dimethyl camphorate #; 15797-21-4; JTQKJWYDOXYYBH-UHFFFAOYSA-N; NSC408336; AC1L8A9U; 1,3-Cyclopentanedicarboxylic acid, 1,2,2-trimethyl-, dimethyl ester; ZX-AT025278 | C12H20O4 | 228.28 g/mol | CC1(C(CCC1(C)C(=O)OC)C(=O)OC)C |
| TCMBANKIN009594 | isocnidilide | C12H18O2 | 194.27 g/mol | CCCCC1C2CCCC=C2C(=O)O1 | |
| TCMBANKIN010080 | 3,4-dihydroxyallylbenzene4-o-[α-l-rhamnopyranosyl-(1→6)]-β-d-glucopyranoside | C21H30O11 | |||
| TCMBANKIN010732 | Δ2,4-dihydrophthalicanhydride | C8H6O3 | |||
| TCMBANKIN012105 | 4-octen-3-ol,2,2-dimethyl- | C10H20O | 156.26 g/mol | CCCC=CC(C(C)(C)C)O | |
| TCMBANKIN012460 | Folinic acid | 4-{[(2-amino-5-formyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl)methyl]amino}-N-(1,3-dicobaltiopropyl)benzamide; folinic acid; N5 -Formyl-5,6,7,8- tetrahydropteroyl-L -glutamic acid; N5-Formyl-5,6,7,8-tetrahydropteroyl-L-glutamic acid; folinicacid | C99H148N24O24S2 | 2122.51 | C1C(N(C2=C(N1)N=C(NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)[O-])C(=O)[O-].O.O.O.O.O.[Ca+2] |
| TCMBANKIN012611 | (1R,4R,5S)-4-isopropenyl-1,8-dimethylspiro[4.5]dec-8-ene | (1R,4R,5S)-1,8-dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-8-ene; (1R,4R,5S)-1,8-dimethyl-4-prop-1-en-2-yl-spiro[4.5]dec-8-ene; (1R,4R,5S)-4-isopropenyl-1,8-dimethyl-spiro[4.5]dec-8-ene | 204.39 | ||
| TCMBANKIN013343 | isococculidine | 2,12-dimethoxy-2,4a,5,6,8,9-hexahydro-1H-indolo[7a,1-a]isoquinoline; isococculidine ; AC1MR6LL | C18H23NO2 | 285.4 g/mol | COC1CC23C(CCN2CCC4=C3C=C(C=C4)OC)C=C1 |
| TCMBANKIN014703 | D-Galacturonic acid, homopolymer | 25249-06-3; (2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxo-hexanoic acid; EINECS 239-061-5; (2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid; 11100-11-1; NSC 212542; (2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-keto-hexanoic acid; EINECS 211-682-6 | C6H10O7 | 194.14 | C(=O)C(C(C(C(C(=O)O)O)O)O)O |
| TCMBANKIN014857 | sederone | ||||
| TCMBANKIN014917 | ()-Camphoric acid | C409_ALDRICH; (1R,3S)-1,2,2-trimethylcyclopentane-1,3-dicarboxylic acid; (1R,3S)-()-Camphoric acid; (1R,3S)-1,2,2-Trimethyl-1,3-cyclopentanedicarboxylic acid | C10H16O4 | 200.23 | CC1(C(CCC1(C)C(=O)[O-])C(=O)[O-])C |
| TCMBANKIN015019 | anglica polysacharide | ||||
| TCMBANKIN015543 | linalyl acetate | 3ID3M89AV9; [(3S)-3,7-dimethylocta-1,6-dien-3-yl] acetate; (s)-linalyl acetate; Linalyl acetate, (+)-; CHEBI:78335; (+)-1,5-Dimethyl-1-vinylhex-4-enyl acetate; 51685-40-6; AC1OE5T3; UNII-3ID3M89AV9; linalyl acetate ; CJ-07639; CJ-32467; SCHEMBL15745424; AJ-33267; Coriandrol acetate; EINECS 257-347-8; ZINC2041035; (+)-linalyl acetate; (3S)-3,7-dimethylocta-1,6-dien-3-yl acetate; UNII-5K47SSQ51G component UWKAYLJWKGQEPM-GFCCVEGCSA-N | C12H20O2 | 196.29 | CC(=CCCC(C)(C=C)OC(=O)C)C |
| TCMBANKIN015594 | phosphatidylinositol | 1-Phosphatidyl-D-myo-inositol; Phosphatidylinositol; Phosphatidyl-1D-myo-inositol; 1-Phosphatidyl-1D-myo-inositol; Phosphatidylinositols, soya; 1-Phosphatidyl-myo-inositol; (3-Phosphatidyl)-1-D-inositol | C11H19O13P | 390.23 g/mol | C(C(COP(=O)(O)OC1C(C(C(C(C1O)O)O)O)O)OC=O)OC=O |
| TCMBANKIN015923 | valerosidatum | C21H34O11 | 462.5 g/mol | CC(C)CC(=O)OC1C2C(CC(C2(C)O)O)C(=CO1)COC3C(C(C(C(O3)CO)O)O)O | |
| TCMBANKIN017004 | (6R)-6-butylcyclohepta-1,4-diene | C11H18 | 150.26 | ||
| TCMBANKIN020195 | (+)-Ledol | 577-27-5; C09698; 1H-Cycloprop(e)azulen-4-ol, decahydro-1,1,4,7-tetramethyl-, (1aR-(1aalpha,4alpha,4abeta,7alpha,7abeta,7balpha))- | C15H26O | 222.37 g/mol | CC1CCC2C1C3C(C3(C)C)CCC2(C)O |
| TCMBANKIN020394 | z-3',8',3'α,7'α-tetrahydro-6,3',7,7'α-diligustilide-8'-one | ||||
| TCMBANKIN020588 | procurcumenol | Epiprocurcumenol | C15H22O2 | 234.33 | CC1=CC(=O)C(=C(C)C)CC2C1CCC2(C)O |
| TCMBANKIN020726 | phellatin | Phellatin; LMPK12111709 | C26H30O12 | 534.5 g/mol | CC(C)(CCC1=C(C=C2C(=C1O)C(=O)C(=C(O2)C3=CC=C(C=C3)O)O)OC4C(C(C(C(O4)CO)O)O)O)O |
| TCMBANKIN021134 | vitamin b15 | C20H40N2O8 | 436.5 g/mol | CC(C)N(C(C)C)C(C(=O)OCC(C(C(C(C(=O)O)O)O)O)O)N(C(C)C)C(C)C | |
| TCMBANKIN021214 | suchilactone | SCHEMBL15624884 | C21H20O6 | 368.38 | COC1=C(C=C(C=C1)CC2COC(=O)C2=CC3=CC4=C(C=C3)OCO4)OC |
| TCMBANKIN022390 | limocitrin-beta-d-glucoside | DTXSID70146085; 4H-1-Benzopyran-4-one, 3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxy-3-methylphenyl)-8-methoxy-; 103839-19-6; AC1NUSUS; limocitrin-β-d-glucoside; 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one | C23H24O13 | 508.4 g/mol | COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)OC)OC4C(C(C(C(O4)CO)O)O)O)O |
| TCMBANKIN023102 | 1,5,5,6-tetramethyl-1,3-Cyclohexadiene | 1,5,5,6-tetramethyl-1,3-cyclohexadiene | C10H16 | 136.23 | CC1C(=CC=CC1(C)C)C |
| TCMBANKIN024768 | 2-methyl-5-decanone | C11H22O | 170.29 | CCCCCC(=O)CCC(C)C | |
| TCMBANKIN025378 | eucalyptin | C-57761; 5-hydroxy-4',7-dimethoxy-6,8-dimethylflavone; AK112317; AC1L2R7A; SCHEMBL1250942; 5-Hydroxy-7-methoxy-2-(4-methoxyphenyl)-6,8-dimethyl-4-benzopyrone; LMPK12111028; 4CN-1571; Eucalyptin; DTXSID60185145; AJ-41245; 5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-6,8-dimethylchromen-4-one; MolPort-006-115-081; W1602; 3122-88-1; ZINC2566159; AC1Q6AJJ; 5-Hydroxy-7-methoxy-2-(4-methoxyphenyl)-6,8-dimethyl-4H-chromen-4-one; Ambap3122-88-1; FT-0634682; CTK4G6584; DB-047989; AX8104227; 4',7-Dimethoxy-6,8-dimethyl-5-hydroxyflavone; EINECS 221-502-8; KB-197753; 4H-1-Benzopyran-4-one,5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-6,8-dimethyl-; AKOS016009468; ST24044783; SC-88786; 5-hydroxy-7,4'-dimethoxy-6,8-dimethylflavone | C19H18O5 | 326.3 g/mol | CC1=C(C2=C(C(=C1OC)C)OC(=CC2=O)C3=CC=C(C=C3)OC)O |
| TCMBANKIN026017 | h-Met-h | L-2-Amino-4methylthiobutyric acid; (2S)-2-amino-4-(methylthio)butanoic acid; NSC 22946; Methionine (USP); L-Methionine Z (TN); 2-Amino-4-methylthiobutanoic acid (S)-; L-Methionine-35S; Metionina [DCIT]; 24425-78-3; h-Met-oh; M9625_SIAL; (S)-methionine; nchembio816-comp7; Acimethin; (35S)Methionine; S-Methyl-L-homocysteine; Toxin WAR (Bacillus thuringiensis strain PS205C); Soft tissue sarcoma-associated protein (human clone WO2004048938-SEQID-1139); M8439_SIAL; (L)-Methionine; (2S)-2-amino-4-(methylthio)butyric acid; 3654-96-4; 64319_FLUKA; L-Methionine Z; 58576-49-1; EINECS 200-562-9; NCGC00160620-01; (S)-(+)-Methionine; (2S)-2-amino-4-methylsulfanylbutanoic acid; C00073; C-11 Met; Poly-L-methionine; Polymethionine; L-Homocysteine, S-methyl-; HSDB 4317; L-alpha-Amino-gamma-methylmercaptobutyric acid; D00019; CCRIS 5536; L-gamma-Methylthio-alpha-aminobutyric acid; L-Methionine, labeled with carbon-11; (S)-2-amino-4-(methylthio)butyric acid; NSC 118113; nchembio.2007.56-comp4; gamma-Methylthio-alpha-aminobutyric acid; Methionine [USAN:INN]; L-Methioninum; carbon-11 methionine; (S)-2-Amino-4-(methylmercapto)butyric acid; CCRIS 5528; 26062-47-5; C-11 Methionine; Methionine (VAN); (2S)-2-amino-4-methylsulfanyl-butanoic acid; (2S)-2-amino-4-(methylsulfanyl)butanoic acid; (S)-2-Amino-4-(methylthio)butanoic acid; Methionine C 11; 2-Amino-4-(methylthio)butyric acid, (S)-; Liquimeth; Methioninum [INN-Latin]; L-2-Amino-4-(methylthio)butanoic acid; Methionine, L- (8CI); L(-)-Amino-gamma-methylthiobutyric acid; L-Methionin; InChI=1/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8; CHEBI:16643; M5308_SIGMA; L-Methionine, homopolymer; L-Methionine (JP15); L-alpha-Amino-gamma-methylthiobutyric acid | C5H11NO2S | 149.21 g/mol | CSCCC(C(=O)O)N |
| TCMBANKIN026109 | (3S)-3-butyl-3H-isobenzofuran-1-one | (3S)-3-butyl-3H-2-benzofuran-1-one | C12H14O2 | 190.24 | |
| TCMBANKIN027700 | 2-methyldodecan-5-one | AC1NSYC5; 2-Methyl-dodecane-5-one; SCHEMBL6364133; AKOS011913343 | C13H26O | 198.34 g/mol | CCCCCCCC(=O)CCC(C)C |
| TCMBANKIN027765 | Tropone | 2,4,6-CYCLOHEPTATRIEN-1-ONE; InChI=1/C7H6O/c8-7-5-3-1-2-4-6-7/h1-6; cyclohepta-2,4,6-trien-1-one; ZINC02034873; 252832_ALDRICH; 539-80-0; 1-cyclohepta-2,4,6-trienone; 93553_FLUKA; EINECS 208-725-6 | C7H6O | 106.12 | C1=CC=CC(=O)C=C1 |
| TCMBANKIN028596 | Isofernene | AC1NSX0L; (5aS,11aS,13bR)-3a,5a,8,8,11a,13a-hexamethyl-3-propan-2-yl-1,2,3,4,5,6,7,7a,9,10,11,12,13,13b-tetradecahydrocyclopenta[a]chrysene; isofernene | C30H50 | 410.72 | CC(C)C1CCC2C1(CCC3(C2(CCC4=C3CCC5C4(CCCC5(C)C)C)C)C)C |
| TCMBANKIN028735 | vitamin b12 | C63H88CoN14O14P | 1355.4 g/mol | CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)([O-])OC(C)CNC(=O)CCC4(C(C5C6(C(C(C(=C(C7=NC(=CC8=NC(=C(C4=N5)C)C(C8(C)C)CCC(=O)N)C(C7(C)CC(=O)N)CCC(=O)N)C)[N-]6)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[C-]#N.[Co+3] | |
| TCMBANKIN029191 | Stigmasteryl ferulate | stigmasteryl ferulate | C39H56O4 | 588.9 g/mol | CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C=CC5=CC(=C(C=C5)O)OC)C)C)C(C)C |
| TCMBANKIN029293 | Ethol | Adol 54; 124-29-8; C00823; Hyfatol; 4-01-00-01876 (Beilstein Handbook Reference); Cetylic alcohol; Cetaffine; 8032-16-4; Cyclal cetyl alcohol; N-Hexadecanol; 36311-34-9; Normal primary hexadecyl alcohol; Cetanol (JP15); Ethal; Isocetyl alcohol; Hexadecanol (VAN); n-Hexadecan-1-ol; Adol 520; n-Cetyl alcohol; Aldol 54; Siponol CC; AI3-00755; Loxanol K; Loxanwachs SK; Hexadecan-1-ol; Atalco C; AIDS-471017; Cetyl alcohol; 36653-82-4; EINECS 253-149-0; Hexadecyl alcohol, normal; HSDB 2643; Fatty alcohol(C16); Cetylalkohol; 8023-37-8; FEMA No. 2554; H6800_SIAL; EINECS 252-964-9; Alfol 16; 1-Cetanol; BRN 1748475; Cachalot C-52; Lorol 24; 258741_ALDRICH; 52238_FLUKA; NCGC00159368-03; NCGC00159368-04; C16 alcohol; 8014-51-5; NSC 4194; CHEBI:16125; Product 308; Crodacol-CAS; EPA Pesticide Chemical Code 001508; Elfacos C; Cetylol; Cachalot C-50; Cetal; InChI=1/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H; Crodacol C; 16-Hexadecanol; 1-Hexanedecanol; n-1-Hexadecanol; 8032-89-1; EPAL 16NF; W255408_ALDRICH; 55069-45-9; D00099; 8032-17-5; NSC4194; Adol 52NF; Adol 52 NF; Hyfatol 16; 1-Hexadecyl alcohol; Isohexadecyl alcohol; Adol 52; Cetalol CA; Cetanol (TN); 1-Hexadecanol; 68824_FLUKA; Cetanol; LMFA05000061; NCGC00159368-02; Caswell No. 165D; CO-1695; Siponol wax-A; FEMA Number 2554; Alcohol C-16; CO-1670; Cachalot C-51; Isohexadecanol; Cetyl alcohol (hexadecanol); 1-Hexadecyl alc; ST075158; Lanol C; Hexadecanol; Hexadecyl alcohol; 03884_FLUKA; SSD RP; Dytol F-11; Palmityl alcohol; N-Hexadecyl alcohol; Cetyl alcohol (NF); AIDS471017; Crodacol-CAT; Loxanol K extra | C16H34O | 242.44 g/mol | CC(C)CCCCCCCCCCCCCO |
| TCMBANKIN030494 | gqeieureulactene | ||||
| TCMBANKIN030498 | (1R,2S,4R)-1-ethyl-1-methyl-2,4-bis(1-methylethyl)cyclohexane | C15H30 | 210.4 | ||
| TCMBANKIN030754 | phosphatidylinositol_qt | 228.11 | |||
| TCMBANKIN030912 | Chrysanthemaxanthin | .beta.,.epsilon.-Carotene-3,3'-diol, 5,8-epoxy-5,8-dihydro-, (3S,3'R,5R,6'R,8S)-; JRHJXXLCNATYLS-OMSIYMKDSA-N; .beta.,.epsilon.-Carotene-3,3'-diol, 5,8-epoxy-5,8-dihydro-; 2-[(2E,4E,6E,8E,10E,12E,14E,16E)-17-(4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl)-6,11,15-trimethylheptadeca-2,4,6,8,10,12,14,16-octaen-2-yl]-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-6-ol; .alpha.-Carotene-3,3'-diol, 5,8-epoxy-5,8-dihydro-; Chrysanthemaxanthin, all-trans-; 2-[(1E,3E,5E,7E,9E,11E,13E,15E)-16-(4-Hydroxy-2,6,6-trimethyl-2-cyclohexen-1-yl)-1,5,10,14-tetramethyl-1,3,5,7,9,11,13,15-hexadecaoctaenyl]-4,4,7a-trimethyl-2,4,5,6,7,7a-hexahydro-1-benzofuran-6-ol #; AC1NTA37; chrysanthemaxanthin; .alpha.-Carotene-3,3'-diol, 5,8-epoxy-5,8-dihydro-, all-trans- | C14H21NO4 | 267.32 | CC1=CC(CC(C1C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C2C=C3C(CC(CC3(O2)C)O)(C)C)C)C)(C)C)O |
| TCMBANKIN032031 | curdione | MolPort-023-220-735; AK608306; Neocurdione; AKOS030573581; 13657-68-6; (3R,6E,10S)-3-ISOPROPYL-6,10-DIMETHYLCYCLODEC-6-ENE-1,4-DIONE; (3R,6E,10S)-6,10alpha-Dimethyl-3-isopropyl-6-cyclodecene-1,4-dione; ZINC100037270; Q-100139; BG00943803; Curdione; X1116; 108944-67-8; Germacr-1(10)-ene-5,8-dione; 657C686 | C15H24O2 | 236.35 | CC1CCC=C(CC(=O)C(CC1=O)C(C)C)C |
| TCMBANKIN032814 | sphingomyelin | 493.73 | CCCCCCCCCCCCCC=CC(C(COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCC=CCCCCCC)O | ||
| TCMBANKIN032999 | phosphatdic acid | phosphatidylinositol_qt; AC1NUST0; (2-formyloxy-3-phosphonooxypropyl) formate | 228.11 | ||
| TCMBANKIN035272 | 1,2-dimethylbenzene | 27621-EP2272832A1; DTXSID10178042; 22771-EP2305682A1; 27621-EP2275411A2; 22771-EP2287147A2; 30823-EP2308858A1; 22771-EP2274983A1; 27621-EP2298769A1; 30823-EP2311816A1; 22771-EP2308879A1; 27621-EP2292592A1; 22771-EP2295429A1; 27621-EP2295434A2; 2-methylbenzyl; 22771-EP2315502A1; 30823-EP2311817A1; 1,2-dimethyl-benzene; 25974-EP2378585A1; 22771-EP2275412A1; 2348-48-3; o-methylbenzyl; methylbenzyl; 2-Methylbenzyl radical; 25974-EP2314558A1; 27621-EP2298767A1; AC1L3AU6; 25974-EP2372804A1; 27621-EP2298743A1; 27621-EP2311830A1; 22771-EP2292606A1; 22771-EP2287164A1; 25974-EP2371810A1; 27621-EP2314587A1 | C8H9 | 105.16 g/mol | CC1=CC=CC=C1[CH2] |
| TCMBANKIN035599 | sec-butyl isothiocyanate | UNII-126JI237AW component TUFJIDJGIQOYFY-RXMQYKEDSA-N; ZINC167189; (2R)-2-isothiocyanatobutane; AC1NUCKH; A826523; [R,(?)]-2-Isothiocyanatobutane; ZB008778 | C5H9NS | 115.2 g/mol | CCC(C)N=C=S |
| TCMBANKIN036312 | 20-Hexadecanoylingenol | 20-hexadecanoylingenol | C36H58O6 | 586.94 | CCCCCCCCCCCCCCCC(=O)OCC1=CC2C3C(C3(C)C)CC(C4(C2=O)C=C(C(C4(C1O)O)O)C)C |
| TCMBANKIN036897 | curcumol | Curcumol | C15H24O2 | 236.35 | CC1CCC2C13CC(C(O3)(CC2=C)O)C(C)C |
| TCMBANKIN036901 | myristic acid | 1-Tridecanecarboxylic acid; Myristinsaeure; CH3-[CH2]12-COOH; 70079_FLUKA; AI3-15381; LMFA01010014; CH3-[CH2]12-COO(-); NCGC00091068-02; Myristic acid-[9,10-3H]; C06424; Emery 655; myristic acid ; NSC 5028; 70082_FLUKA; C14 fatty acid; ST023797; W276405_ALDRICH; CCRIS 4724; Kortacid 1499; 3uev; TUNFSRHWOTWDNC-UHFFFAOYSA-M; Tetradecanoic acid; EINECS 250-924-5; n-Tetradecoic acid; 4-02-00-01126 (Beilstein Handbook Reference); Hydrofol acid 1495; MYR; BRN 0508624; Myristate; Myristic acid (natural); Tetradecanoate; LS-190125; Crodacid; Myristic acid (8CI); EINECS 208-875-2; Prifac 2942; Myristic acid; AIDS002505; tetradecoate; W276413_ALDRICH; FEMA No. 2764; HSDB 5686; Philacid 1400; CHEBI:28875; Edenor C 14; n-tetradecoate; 45184-05-2; myristicacid; tetradecoic acid; n-Tetradecanoic acid; M3128_SIGMA; AIDS-002505; Univol U 316S; Lead dimyristate; AC1N2PSK; NCGC00091068-01; neo-Fat 14; NSC5028; Tetradecanoic acid (9CI); Hystrene 9014; Myristic acid, pure; M4792_SIGMA; CHEBI:30807; n-Tetradecan-1-oic acid; WLN: QV13; 1-tetradecanecarboxylate; 32112-52-0; n-tetradecan-1-oate; 544-63-8 | C14H28O2 | 228.371 | C([H])([H])(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(O[H])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H] |
| TCMBANKIN037148 | 3(S)-3-Butyl-4,5-dihydrophthalide | 3(s)-3-butyl-4,5-dihydrophthalide; 3-butyl-4,5,6,7-tetrahydro-3H-2-benzofuran-1-one; SCHEMBL5037143; AC1NST76 | 194.27 g/mol | ||
| TCMBANKIN037440 | Uridine | URI; SBB000838; 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]pyrimidine-2,4-dione; SMR000058222; MLS000069625; AIDS185903; 1-beta-D-Ribofuranosyluracil; NSC 20256; 1-[(2R,5R)-3,4-DIHYDROXY-5-(HYDROXYMETHYL)OXOLAN-2-YL]-3H-PYRIMIDINE-2,4-DIONE; SY005419; AKOS015960347; MolPort-005-932-481; AC-10519; araU; 12693-39-9; ZINC02583633; 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione; AB0012293; Uracil-1-beta-D-ribofuranoside; SCHEMBL890304; NCGC00142368-01; C00299; 1-beta-D-ribofuranosylpyrimidine-2,4(1H,3H)-dione; BG00950366; U3750_SIGMA; Uridine, labeled with tritium; AI3-52690; AIDS-185903; U3003_SIGMA; AS-12665; Uracil, 1-beta-D-ribofuranosyl-; 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]pyrimidine-2,4-quinone; 21231-59-4; U6381_SIGMA; SMP1_000029; CHEBI:16704; 68184-15-6; 1-((2r,5r)-3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1h-pyrimidine-2,4-dione; 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione; EINECS 200-407-5 | 244.201 | ||
| TCMBANKIN037504 | β-Bisabolene | (1S)-bisabola-4,7(11),10(15)-triene; (-)-beta-bisabolene; beta-Bisabolene; Cyclohexene, 1-methyl-4-(5-methyl-1-methylene-4-hexenyl)-, (S)-; (S)-(-)-6-methyl-2-(4-methyl-3-cyclohexen-1-yl)-1,5-heptadiene; LMPR0103060013; beta-bisabolene ; β-Bisabolene; UNII-S19BRC22QA; (1S)-bisabola-4,7(11),10(15)-triene (4S)-1-methyl-4-(5-methyl-1-methylenehex-4-en-1-yl)cyclohexene; 1-Methyl-4-(5-methyl-1-methylene-4-hexenyl)-1-cyclohexene-, (4S)-; (4R)-1-methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclohexene; S19BRC22QA; XZRVRYFILCSYSP-OAHLLOKOSA-N; InChI=1/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,15H,4-5,7,9-11H2,1-3H; CHEBI:49263; C19751; 1-methyl-4-(5-methyl-1-methylenehex-4-en-1-yl)cyclohexene; (4R)-1-methyl-4-(5-methyl-1-methylene-hex-4-enyl)cyclohexene; cyclohexene, 1-methyl-4-(5-methyl-1-methylene-4-hexenyl)-; FT-0622892; (-)-.beta.-bisabolene; .beta.-Bisabolene; 495-61-4; β- bisabolene; (+,-)-.beta.-Bisabolene; (-)-b-bisabolene,b-bisabolene,6-methyl-2-(4-methyl-3-cyclohexen-1-yl)-1,5-heptadiene; (4R)-1-methyl-4-(5-methyl-1-methylenehex-4-enyl)cyclohexene; l-beta-Bisabolene; l-.beta.-Bisabolene; (S)-1-Methyl-4-(5-methyl-1-methylene-4-hexenyl)cyclohexene; beta-bisabolene; (S)-beta-bisabolene; (4S)-1-methyl-4-(5-methyl-1-methylenehex-4-en-1-yl)cyclohexene; CHEMBL1077088; C16775; ZINC1846611; 1-Methyl-4-(5-methyl-1-methylene-4-hexenyl)-(S)-cyclohexene; (s)-1-methyl-4-(5-methyl-1-methylene-4-hexenyl)-cyclohexene; 1,5-Heptadiene, 6-methyl-2-(4-methyl-3-cyclohexen-1-yl)-, (S)-(-)- | 204.35 g/mol | ||
| TCMBANKIN038204 | ferulic acid | (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate; caffeic acid 3-methyl ether; ferulicacid; A803063; (E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoate; CJ-00500; ZB002373; ferulate; CHEBI:29749; (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate; 3-Methoxy-4-hydroxy-trans-cinnamate; (E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate; Ferulic Acid; AC1NUT2L; ferulic acid | C10H10O4 | 194.18 | COC1=C(C=CC(=C1)C=CC(=O)O)[O-] |
| TCMBANKIN038585 | Ligustilide dimer | ||||
| TCMBANKIN039283 | m-Ethylphenol | FT-0628787; DSSTox_CID_2480; 3-Ethylphenol, >=95.0% (GC); MFCD00002311; Phenol, m-ethyl- (8CI); MCULE-6091136568; CHEMBL58052; TL8004015; SCHEMBL51757; DB-030920; KB-31678; KB-203153; 281417_ALDRICH; 3-Ethylphenol 100 microg/mL in Methanol; ACMC-209myx; ANW-34039; CAS-620-17-7; Phenol, m-ethyl-; 04688_FLUKA; InChI=1/C8H10O/c1-2-7-4-3-5-8(9)6-7/h3-6,9H,2H2,1H; ALBB-026446; 3-ETHYL PHENOL; Benzene, 1-ethyl-3-hydroxy-; AI3-19938; 3-Ethyl-phenol; 3-Ethylphenol; BIDD:ER0180; NSC-8873; ST24042146; CHEBI:34332; NSC8873; UNII-C27Y543KVA component HMNKTRSOROOSPP-UHFFFAOYSA-N; 3-ETHYLPHENOL; DTXSID0022480; DSSTox_RID_76600; UNII-0G9ZK222JX; NCGC00249086-01; NCGC00256388-01; AC1Q2TW6; HMNKTRSOROOSPP-UHFFFAOYSA-N; Tox21_302992; 3-Ethylphenol, technical grade, 80%; I01-7336; LS-179861; AK-76825; m-Ethyl phenol; MolPort-001-791-375; KS-000010X9; 3-Ethylphenol, PESTANAL(R), analytical standard; AKOS000120810; Ambap620-17-7; 0G9ZK222JX; KSC238O1R; SC-27057; 36723_RIEDEL; AN-21981; PubChem10772; CJ-05938; C14386; Q-200377; 3-Ethylphenol, 99%; Phenol, 3-ethyl-; EINECS 210-627-3; CJ-26655; HSDB 5720; ZINC01648289; NCGC00259172-01; E0161; 620-17-7; AJ-28742; RT-000967; RP19475; m-ethylphenol; 1-Ethyl-3-hydroxybenzene; AS04468; AC1L1YUL; STL481945; DSSTox_GSID_22480; A8582; Tox21_201623; ZINC1648289; 1-Hydroxy-3-ethylbenzene; NSC 8873; meta-Ethylphenol | C8H10O | 122.16 | CCC1=CC(=CC=C1)O |
| 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] |
| TCMBANKIN039868 | isocurcumenol | isocurcum enol; LS-64023; MolPort-039-338-608; ZINC15160861; 24063-71-6; Isocurcumenol | C15H22O2 | 234.334 | [C@@]1([H])(C(=C([H])[H])C2([H])[H])[C@@]3([C@@]([H])(C([H])([H])[H])C([H])([H])C1([H])[H])O[C@]2(O[H])\C(=C(\C([H])([H])[H])/C([H])([H])[H])\C3([H])[H] |
| TCMBANKIN039885 | Senkyunolide E | senkyunolide-E; senkyunolide e; senkyunolide E | 204.22 g/mol | ||
| TCMBANKIN039998 | coniferyl ferulate | (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid [(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl] ester; (E)-3-(4-hydroxy-3-methoxy-phenyl)acrylic acid [(E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enyl] ester; 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, 3-(4-hydroxy-3-methoxyphenyl)-2-propenyl ester; [(E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enyl] (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate; 63644-62-2; coniferyl ferulate; [(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate | C20H20O6 | 356.369 | c1(OC([H])([H])[H])c([H])c(\C([H])=C([H])\C(=O)OC([H])([H])\C([H])=C([H])\c2c([H])c(OC([H])([H])[H])c(O[H])c([H])c2[H])c([H])c([H])c1O[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 |
| TCMBANKIN040840 | 24,24-Dimethyl-5alpha-cholesta-8-en-3beta-ol | 24,24-dimethyl-5α-cholesta-8-en-3β-ol; AC1NSUUM; (3S,10S,13R)-10,13-dimethyl-17-(5,5,6-trimethylheptan-2-yl)-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol | C29H50O | 414.7 g/mol | C1([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C2([H])[H])[C@]2( [H])C(C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[C@@]([H])(O[H])C([H])([H])C3([H])[H])[C@]34C([H])([H])[H])=C14 |
| TCMBANKIN041051 | neocurdione | Neocurdione; (6E)-6,10-dimethyl-3-propan-2-ylcyclodec-6-ene-1,4-dione; 3-Isopropyl-6,10-dimethyl-6-cyclodecene-1,4-dione #; KDPFMRXIVDLQKX-IZZDOVSWSA-N; AC1NSU0Y | C15H24O2 | 236.35 g/mol | CC1CCC=C(CC(=O)C(CC1=O)C(C)C)C |
| TCMBANKIN041262 | isoimperatorin | AJ-19023; Oprea1_655950; 7H-Furo[3,2-g][1]benzopyran-7-one,4-[(3-methyl-2-buten-1-yl)oxy]-; NCGC00180809-02!4-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one; Isoimperatorin, analytical standard; 4-[(3-methylbut-2-en-1-yl)oxy]-7h-furo[3,2-g]chromen-7-one; MCULE-5468436292; Iso-imperatorin; UNII-0ZMV066080; BDBM50242377; ZB010260; BG00617053; BRD-K40367461-001-01-0; ZINC00296185; ACN-035226; HMS2268M21; CS-5801; ACon1_000176; MLS001048978; MLS000574919; API0003033; Q-100533; Oprea1_630212; 4-(3-methylbut-2-enoxy)-7-furo[3,2-g]chromenone; Iso Imperatorin; isoimperatorin ; 4-[(3-METHYLBUT-2-EN-1-YL)OXY]FURO[3,2-G]CHROMEN-7-ONE; AN-8401; CTK4J0732; I06-0434; C16976; 7,4-[(3-methyl-2-butenyl)oxy]-7H-furo[3,2-g]-1-benzopyran-7-one; AB0019796; 7H-Furo[3,2-g][1]benzopyran-7-one, 4-((3-methyl-2-butenyl)oxy)-; AIDS-071126; SCHEMBL15090959; IGWDEVSBEKYORK-UHFFFAOYSA-N; TR-031434; 482I451; NCGC00180809-01; 482-45-1; DTXSID60197460; 7H-Furo[3,2-g][1]benzopyran-7-one, 4-[(3-methyl-2-butenyl)oxy]-; 4-((3-methylbut-2-en-1-yl)oxy)-7H-furo[3,2-g]chromen-7-one; AK-23906; Isoimperatorin; AC1Q6AY9; KS-00000NN4; MFCD00272155; 0ZMV066080; AC-8047; AX8008744; SMR000156243; CHEMBL448060; HY-N0286; CHEBI:66071; KB-294187; FT-0656369; 10-[(3-methyl-2-butenyl)oxy]-7H-furo[3,2-g][1] benzopyran-7-one; STOCK1N-27740; ZINC296185; N1746; ST24047429; 4-[(3-Methyl-2-butenyl)oxy]-7H-furo[3,2-g]chromen-7-one #; MolPort-001-740-269; 7H-Furo(3,2-g)(1)benzopyran-7-one, 4-((3-methyl-2-butenyl)oxy)-; CI0035; V0302; 7H-Furo[3,2-g][1]benzopyran-7-one,4-[(3-methyl-2-butenyl)oxy]-; AIDS071126; 4-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one; AKOS015895143; 4-(3-Methyl-but-2-enyloxy-furo[3,2-g]chromen-7-one; MEGxp0_000090; AC1L28ZP | C17H16O3 | 268.307 | c12c(c([H])c([H])o1)c(C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])c3c(OC(=C([H])[H])C([H])=C3[H])c2O[H] |
| TCMBANKIN041717 | Bicycloelemene | (+)-Eudesma-5,7(11)-diene; AC1O56X9; ZQODGIAJYWHYRF-UHFFFAOYSA-N; 1,4a-dimethyl-7-propan-2-ylidene-1,2,3,4,5,6-hexahydronaphthalene | 204.35 | ||
| TCMBANKIN042960 | alpha-chamigrene | 1,5,5-trimethyl-6-(4-methylcyclohex-3-en-1-yl)cyclohexene; α-chamigrene; AC1NSTHR | C15H24 | 204.35 g/mol | CC1=CCC2(CC1)C(=CCCC2(C)C)C |
| TCMBANKIN043783 | curzerene | Curzerene; BG01211968; 4,5,6,7-Tetrahydro-5-isopropenyl-3,6beta-dimethyl-6alpha-vinylbenzofuran; AC1NSU11; Y0061; (6S)-6-ethenyl-3,6-dimethyl-5-prop-1-en-2-yl-5,7-dihydro-4H-1-benzofuran; 17910-09-7 | C15H20O | 216.319 | C([H])([H])=C([H])[C@@]1(C([H])([H])[H])C([H])([H])c(oc([H])c2C([H])([H])[H])c2C([H])([H])[C@]1([H])C(C([H])([H])[H])=C([H])[H] |
| TCMBANKIN044352 | dihydropinosylvin | 5-(2-phenylethyl)benzene-1,3-diol; I14-6884; AKOS015915007; AC1L9D9B; CHEBI:4579; CHEMBL228120; 5-phenethylbenzene-1,3-diol; A808347; 5-(2-phenylethyl)resorcinol; BDBM50211960; 1,3-Benzenediol,5-(2-phenylethyl)-; Dihydropinosylvin; DTXSID30331915; LDBYHULIXFIJAZ-UHFFFAOYSA-N; W2083; FT-0657704; BG00926423; SCHEMBL501070; ST51054402; 3,5-Dihydroxybibenzyl; MFCD16294420; 4CN-1660; 1,3-Benzenediol, 5-(2-phenylethyl)-; C10254; 5-Phenethyl-benzene-1,3-diol; MolPort-019-992-004; AK398861; ZINC899122; LMPK13090034; 14531-52-3; AC-24221 | C14H14O2 | 214.26 | c1([H])c([H])c(C([H])([H])C([H])([H])c2c([H])c(O[H])c([H])c(O[H])c2[H])c([H])c([H])c1[H] |
| TCMBANKIN045263 | angelicide | 89354-45-0; SCHEMBL6110806; AC1O5XMJ; CHEMBL2047346; (3S,3'Z,5'aR,6'S,7'aS)-3'-butylidene-6'-propylspiro[4,5-dihydro-2-benzofuran-3,7'-5,5a,6,7a-tetrahydro-4H-cyclobuta[g][2]benzofuran]-1,1'-dione; ZINC33830829; 4CN-3231; Riligustilide; Z-6.8',7.3'-Diligustilide | C24H28O4 | 380.5 g/mol | CCCC=C1C2=C(C3C(CC2)C(C34C5=C(C=CCC5)C(=O)O4)CCC)C(=O)O1 |
| TCMBANKIN045507 | Cnidilide | 3-Butyl-3a,4,5,7a-tetrahydro-1(3H)-isobenzofuranone; (3S,3aS,7aR)-3-butyl-3a,4,5,7a-tetrahydro-3H-isobenzofuran-1-one; AK608287; 3674-03-1; CHEMBL2252753; DTXSID20190194; cnidilide; CTK4H7060; UXDIXFDKSPCUIX-AXFHLTTASA-N; SCHEMBL11967660; (3S,3aS,7aR)-3-butyl-3a,4,5,7a-tetrahydro-3H-2-benzofuran-1-one; 1(3H)-Isobenzofuranone, 3-butyl-3a,4,5,7a-tetrahydro-, (3S-(3alpha,3abeta,7abeta))-; (3s,3as,7ar)-3-butyl-3a,4,5,7a-tetrahydro-2-benzofuran-1(3h)-one; C16937; AC1Q6H2P; 3674/3/1; AKOS030573565; CHEBI:80808; AC1L4O3X | C12H18O2 | 194.27 g/mol | CCCCC1C2CCC=CC2C(=O)O1 |
| TCMBANKIN045610 | 1-Methyl-2-dodecyl-4-(1H)-quinolone | 2-dodecyl-1-methylquinolin-4-one; 1-Methyl-2-dodecyl-4(1H)-quinolone; 1-methyl-2-dodecyl-4(1h)-quinolone; AC1NSYC8 | C22H33NO | 327.504 | c1([H])c([H])c(C(=O)C([H])=C(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])[H])N2C([H])([H])[H])c2c([H])c1[H] |
| TCMBANKIN046249 | camphene | CHEMBL506889; CJ-04639; (-)-camphene; (-)-Camphene, technical grade, 75% (90% as camphene and fenchene); L-Camphene; DSSTox_RID_81702; (1S,4R)-2,2-dimethyl-3-methylenebicyclo[2.2.1]heptane; Bicyclo(2.2.1)heptane, 2,2-dimethyl-3-methylene-, (1S)-; (1S)-2,2-Dimethyl-3-methylenebicyclo(2.2.1)heptane; DSSTox_CID_26538; FCH1121419; (1S,4R)-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane; 5794/4/7; C06305; (-) camphene; ZB015525; CC-00037; M5YAV509FN; UNII-G3VG94Z26E component CRPUJAZIXJMDBK-BDAKNGLRSA-N; DTXSID3046538; ZINC968230; CHEBI:89; (1S,4R)-camphene; (-)-Comphene; cam phene; DSSTox_GSID_46538; NCGC00166100-01; (-)-(1S,4R)-camphene; Bicyclo(2.2.1)heptane, 2,2-dimethyl-3-methylene-, (1S,4R)-; CAS-5794-04-7; EINECS 227-337-8; UNII-M5YAV509FN; CRPUJAZIXJMDBK-BDAKNGLRSA-N; (1S)-2,2-Dimethyl-3-methylenebicyclo[2.2.1]heptane; Tox21_112314 | C10H16 | 136.23 g/mol | CC1(C2CCC(C2)C1=C)C |
| TCMBANKIN046316 | Senkyunolide D | senkyunolide D; senkyunolide-D; senkyunolide d | 222.237 | ||
| TCMBANKIN047202 | Campherenol | NCGC00385952-01_C15H26O_1,7-Dimethyl-7-(4-methyl-3-penten-1-yl)bicyclo[2.2.1]heptan-2-ol; 4,7-dimethyl-7-(4-methylpent-3-enyl)bicyclo[2.2.1]heptan-3-ol; campherenol; MCULE-1605960082; AC1NSTBN | C15H26O | 222.37 | CC(=CCCC1(C2CCC1(C(C2)O)C)C)C |
| TCMBANKIN047293 | foliosidine | COMTYGQAMQKQCJ-UHFFFAOYSA-N; 8-(2,3-Dihydroxy-3-methoxybutoxy)-4-methoxy-1-methylquinolin-2(1H)-one; 2520-38-9; 8-(2,3-DIHYDROXY-3-METHOXYBUTOXY)-4-METHOXY-1-METHYLQUINOLIN-2-ONE; CHEMBL1257061; DTXSID70585157; ACM2520389 | C16H21NO5 | 307.34 g/mol | CC(C)(C(COC1=CC=CC2=C1N(C(=O)C=C2OC)C)O)O |
| TCMBANKIN048265 | cnidilin | 9-methoxy-4-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one; cnidilin ; cnidilin; 9-methoxy-4-(3-methylbut-2-enoxy)-7-furo[3,2-g]chromenone | C17H16O5 | 300.306 | c12c(C([H])=C([H])C(=O)O1)c(OC([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])c3c(oc([H])c3[H])c2OC([H])([H])[H] |
| TCMBANKIN049011 | 1,1,5-Trimethyl-2-formyl-cyclohexa-2,5-diene-4-one | 1,1,5-trimethyl-2-formylcyclohexa-2,5-diene-4-one; 4,6,6-trimethyl-3-oxo-1,4-Cyclohexadiene-1-carboxaldehyde | 164.22 | ||
| TCMBANKIN049638 | Phyllanthin | phyllanthin; ZINC5879645; 4-[(2S,3S)-3-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-2-(methoxymethyl)butyl]-1,2-dimethoxy-benzene; (2R,3R)-Phyllanthin; NCI60_005684; C10746; NCGC00384604-01!4-[(2R,3R)-3-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-2-(methoxymethyl)butyl]-1,2-dimethoxybenzene; 10351-88-9; CHEMBL453568; MEGxp0_001857; MolPort-001-742-578; NP-010569; BDBM50292477; MCULE-1843058440; SCHEMBL503799; 4-[(2S,3S)-3-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-2-(methoxymethyl)butyl]-1,2-dimethoxybenzene; NSC619043; 4-[(2R,3R)-3-[(3,4-DIMETHOXYPHENYL)METHYL]-4-METHOXY-2-(METHOXYMETHYL)BUTYL]-1,2-DIMETHOXYBENZENE; 4-[(2S,3S)-3-(3,4-dimethoxybenzyl)-4-methoxy-2-(methoxymethyl)butyl]-1,2-dimethoxy-benzene | 418.52 | ||
| TCMBANKIN050282 | dimethyl-beta-propiothetin | NSC83252; CTK8B1693; KS-00000LCC; Dimethylsulfoniopropionate chloride [MI]; I14-102704; AX8044165; SCHEMBL3767981; UNII-6GDD2X927T; Sulfonium, (2-carboxyethyl)dimethyl-, chloride; NSC-83252; 4337-33-1; ACMC-1AEY8; AK114711; KB-01040; ACM4337331; DTXSID80415714; AC1NSUVS; ST24033847; Dimethylpropiothetin hydrochloride, analytical standard; J-500683; (2-carboxyethyl)dimethylsulfanium chloride; Dimethyl-beta-propiothetin chloride; (2-Carboxyethyl)dimethylsulfonium Chloride; MolPort-005-938-361; 2-carboxyethyl(dimethyl)sulfanium chloride; Sulfonium, (2-carboxyethyl)dimethyl-, chloride (1:1); MFCD00142888; RTR-016837; (2-Carboxyethyl)(dimethyl)sulfonium chloride; C-56296; C5H11ClO2S; Dimethyl-beta-propiothetin hydrochloride; 5991AB; beta-Propiothetin, dimethyl-, hydrochloride; TR-016837; FT-0690267; 6GDD2X927T; dimethylsulfoniopropionate; AKOS015833118; BC215874; ANW-29979; (2-Carboxyethyl)(dimethyl)sulfonium chloride, AldrichCPR; DS-3883 | C5H11ClO2S | 170.66 g/mol | C[S+](C)CCC(=O)O.[Cl-] |
| 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] | |
| 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 |
| TCMBANKIN057971 | sebacicacid | AC1MI2Z2; EINECS 256-186-0; ACM45037670; sebacic acid; 45037-67-0; DTXSID50196366; Sebacaldehyde; decanedial; CTK1D8105; SCHEMBL453083; Usaf hc-1; 4-02-00-02078 (Beilstein Handbook Reference); 422088_ALDRICH; 26776-29-4; 4-OXODECANEDIOIC ACID; AI3-09127; S1752_ALDRICH; 4-OXOSEBACIC ACID; n-Decanedioic acid; Decanedicarboxylic acid; Mixture of undecanedioic acid; CHEBI:41865; Decanedioic acid; 4,7-DIOXOSEBACIC ACID; 14047-57-5; NSC19492; 111-20-6; EINECS 203-845-5; Sebacic acid; 32734-00-2; BRN 1210591; WLN: QV8VQ; NCGC00164361-01; Decanedioic acid, homopolymer; AIDS002604; Dodecanedioic acid and sebacic acid; Sebacic acids; 283258_ALDRICH; 1,8-Octanedicarboxylic acid; NSC 19492; C08277; CCRIS 2290; Sebacinsaeure; NCI60_001628; Polysebacic polyanhydride; Sebacinsaure [German]; Acide sebacique [French]; 84809_FLUKA; NCIOpen2_008624; 84810_FLUKA; AIDS-002604; 1,10-Decanedioic acid; LMFA01170006; CORFREE M1; decanedioic acid | C10H18O4 | 202.25 g/mol | C(CCCCC(=O)O)CCCC(=O)O |
| TCMBANKIN058043 | safrole | saf rAllyldioxybenzene methylene ether; 8022-92-2; Safrole MF; Rhyuno oil; m-Allylpyrocatechin methylene ether; Spectrum5_000843; WLN: T56 BO DO CHJ G2U1; 1,2-Methylenedioxy-4-allylbenzene; C10490; Allylpyrocatechol methylene ether; NSC 11831; Allylcatechol methylene ether; BENZENE,1-ALLYL,3,4-METHYLENEDIOXY SAFROLE; 5-19-01-00553 (Beilstein Handbook Reference); Shikomol; S9652_SIGMA; 1-Allyl-3,4-methylenedioxybenzene; BSPBio_002810; [1,2-(Methylenedioxy)-4-allyl]benzene; Spectrum_001446; Safrole; 1,3-Benzodioxole, 5-(2-propenyl)-; AI3-00514; DivK1c_001022; EINECS 202-345-4; KBio2_004494; 4-Allylpyrocatechol; 4-Allyl-1,2-methylenedioxybenzene; NSC11831; KBio3_002030; KBio2_001926; KBioSS_001926; 3,4-(Methylenedioxy)allylbenzene; 5-(2-Propenyl)-1,3-benzodioxole; Sassafras; KBioGR_002319; 1406-55-9; ST5406117; SPBio_000850; RCRA waste number U203; (Allyldioxy)benzene methylene ether; 5-prop-2-enyl-1,3-benzodioxole; Spectrum4_001939; KBio2_007062; 94-59-7; SDCCGMLS-0066708.P001; 4-Allylpyrocatechol formaldehyde acetal; NINDS_001022; BRN 0136380; 5-Allyl-1,3-benzodioxole; CCRIS 553; Caswell No. 729; InChI=1/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H; EPA Pesticide Chemical Code 097901; HSDB 2653; Shikimole; Spectrum3_001105; SPECTRUM1503620; NCGC00091122-02; Spectrum2_000775; 1-Allyl-3,4-(methylenedioxy)benzene; 4-Allyl-1,2-(methylenedioxy)benzene; NCGC00091122-03; Benzene, 4-allyl-1,2-(methylenedioxy)-; NCGC00091122-01; IDI1_001022; ZINC00002050; Benzene, 1,2-methylenedioxy-4-allyl-; Safrene; RCRA waste no. U203; 1,2-(Methylenedioxy)-4-allylbenzene; 1,3-Benzodioxole, 5-allyl-; KBio1_001022ole; Safrol | C10H10O2 | 162.19g/mol | C=CCC1=CC2=C(C=C1)OCO2 |
| TCMBANKIN058304 | 2',4 '-dihydroxychalcone | 1-(2,4-dihydroxyphenyl)-3-phenyl-prop-2-en-1-one; 25515-43-9; ST5308968; NSC401492; SPECTRUM1505132; NCGC00096022-01; 2-Propen-1-one, 1-(2,4-dihydroxyphenyl)-3-phenyl-, (E)-; 1-(2,4-dihydroxyphenyl)-3-phenylprop-2-en-1-one; (E)-1-(2,4-dihydroxyphenyl)-3-phenylprop-2-en-1-one; (E)-1-(2,4-dihydroxyphenyl)-3-phenyl-prop-2-en-1-one; 2-Propen-1-one, 1-(2,4-dihydroxyphenyl)-3-phenyl-; CHALCONE, 2',4'-DIHYDROXY- | C15H12O3 | 240.25 g/mol | C1=CC=C(C=C1)C=CC(=O)C2=C(C=C(C=C2)O)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-] |
| 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 |
| TCMBANKIN058392 | phthalicanhydride | phthalic anhydride; Phthalandione; isobenzofuran-1,3-quinone; Vulkalent B/C; ESEN; 1,2-Benzenedicarboxylic anhydride; Isobenzofuran, 1,3-dihydro-1,3-dioxo-; Anhydride phtalique; AIDS-189621; EINECS 270-149-6; Vulkalent B; Phthalic anhydride treated-reduced and alkylated bovine serum albumin; RCRA waste no. U190; UN2214; 1,2-Benzenedicarboxylic acid anhydride; Wiltrol P; Anhydrid kyseliny ftalove [Czech]; 1,3-Phthalandione; AIDS-189608; TGL 6525; AIDS-189618; AIDS189616; 320064_SIAL; 80020_FLUKA; Phthalic anhydride treated gelatin; 2-benzofuran-1,3-dione; Retarder ESEN; AIDS-189620; ST5214459; Retarder PD; NSC10431; RCRA waste number U190; Phthalic anhydride, oxidized; Phthalsaeureanhydrid; NCI-C03601; Phthalic anhydride treated casein I; Phthalic acid anhydride; 85-44-9; AIDS189619; NCGC00091060-01; 68411-80-3; Ftalowy bezwodnik [Polish]; Phthalic anhydride treated BSA; Phthalic anhydride treated-reduced and alkylated BSA; Phthalic anhydride treated human serum albumin; Ftaalzuuranhydride [Dutch]; AIDS189615; Anidride ftalica; Phthalic anhydride treated casein II; AIDS-189619; phtalic anhydride; 1,3-Dioxophthalan; Phthalic anhydride; AIDS189608; Phthalic anhydride treated rabbit serum albumin; Anhydride phtalique [French]; Anidride ftalica [Italian]; AIDS-189616; Ftalowy bezwodnik; InChI=1/C8H4O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4; AI3-04869; 1,3-Isobenzofurandione; Ftaalzuuranhydride; 1,3-Isobenzofurandione, oxidized; AIDS189621; Phthalsaeureanhydrid [German]; Phthalic anhydride (molten); NSC 10431; Ftalanhydrid [Czech]; o-Phthalic acid anhydride; 39363-63-8; AIDS189618; HSDB 4012; 125733_ALDRICH; EINECS 201-607-5; CCRIS 519; Retarder AK; AIDS189620; AIDS-189615; WLN: T56 BVOVJ; Phthalic anhydride treated bovine serum albumin; CHEBI:36605; Phthalic anhydride treated HSA; Phthalic anhydride with >0.05% maleic anhydride [UN2214] [Corrosive] | C8H4O3 | 148.11 g/mol | C1=CC=C2C(=C1)C(=O)OC2=O |
| TCMBANKIN058408 | naphthalene1 | 1,4-naphthoquinone | C10H6O2 | 158.15 g/mol | C1=CC=C2C(=O)C=CC(=O)C2=C1 |
| TCMBANKIN058411 | napthalene | Caswell No. 587; Naphthalene (molten); 91-20-3; NPY; 8,8-dimethyl-7,8-dihydropyrano[3,2-g]chromene-2,6-dione; 6,7-Dihydro-8,8-dimethyl-2h,8h-benzo(1,2-b:5,4-b')dipyran-2,6-dione; WEDGVCZUPFZNDE-UHFFFAOYSA-N; WLN: L66J; 8,8-Dimethyl-7,8-dihydro-2H,6H-pyrano[3,2-g]chromene-2,6-dione #; Naphthene; 48641_SUPELCO; 8,8-Dimethyl-7,8-dihydro-pyrano[3,2-g]chromene-2,6-dione; 13,13-DIMETHYL-4,14-DIOXATRICYCLO[8.4.0.0(3),?]TETRADECA-1,3(8),6,9-TETRAENE-5,11-DIONE; DTXSID10167830; NAPHTHALENE; HSDB 184; InChI=1/C14H12O4/c1-14(2)7-10(15)9-5-8-3-4-13(16)17-11(8)6-12(9)18-14/h3-6H,7H2,1-2H; nchembio791-comp1; Albocarbon; CHEBI:16482; NCI-C52904; 84679_FLUKA; NCGC00090793-01; Naftalen [Polish]; Naphthalene-UL-14C; Di(C5-C6)alkylnaphthalene; Naphthalene, di-C5-6-alkyl derivs.; Dezodorator; CCRIS 1838; NSC 37565; Naphtalene [ISO:French]; White tar; InChI=1/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8; 8,8-dimethyl-2H,6H,7H,8H-pyrano[3,2-g]chromene-2,6-dione; 6,7-Dihydro-8,8-dimethyl-2H,8H-benzo[1,2-b:5,4-b']dipyran-2,6-dione; c0333; N3145_SIGMA; AI3-00278; 2,2-dimethyl-3H-pyrano[5,6-g]chromene-4,8-quinone; Moth balls; Naphthalene solution; NCGC00090793-02; NSC37565; Mighty RD1; Camphor tar; Mothballs; 16499-05-1; 40053_SUPELCO; 8,8-dimethyl-7,8-dihydropyrano[3,2-g]chromen-2,6-dione; Naphthaline; Naphthalene, crude or refined; Tar camphor; UN1334; Naphthalene, molten; 2H,6H-Benzo[1,2-b:5,4-b']dipyran-2,6-dione, 7,8-dihydro-8,8-dimethyl-; EINECS 202-049-5; Moth flakes; RCRA waste no. U165; Graveolone; NAPHTHALENE-RING; 48546_SUPELCO; AC1L42XS; Naphthalene, crude or refined [UN1334] [Flammable solid]; EPA Pesticide Chemical Code 055801; 8,8-Dimethyl-7,8-dihydro-2H,6H-pyrano[3,2-g]chromene-2,6-dione; UN2304; 147141_ALDRICH; Naphthalene [BSI:ISO]; RCRA waste number U165; Naphthalene, molten [UN2304] [Flammable solid]; Naftalen; CTK8H1786; 2,2-dimethyl-3H-pyrano[3,2-g]chromene-4,8-dione; NAPHTHYL GROUP; C00829; naphtalene; Mighty 150; 72931-45-4; 8,8-DIMETHYL-7H-PYRANO[3,2-G]CHROMENE-2,6-DIONE; N7394_SIGMA; Naphthalin; 6,7-Dihydro-8,8-dimethyl-2H,8H-benzo-(1,2b:5,4')-dipyran-2,6-dione; 184500_ALDRICH; Naphthalene, pure; 68412-25-9 | C10H8 | 128.17 g/mol | C1=CC=C2C=CC=CC2=C1 |
| TCMBANKIN058428 | isopsoralen | Sobatum; 2H-furo[2,3-h]chromen-2-one; (-)-; Furo[5',4':7,8]coumarin; 5-19-04-00447 (Beilstein Handbook Reference); 24-alpha-Ethylcholesterol; (24R)-Stigmast-5-en-3; Clionasterol; g-Sitosterol; ZINC6393492; A)-Stigmast-5-en-3-ol; NSC404563; 2H-Furo[2,3-h]-1-benzopyran-2-one; A-ol; delta5-Stigmasten-3-beta-ol; HSDB 3554; CHEBI:132823; EINECS 201-481-1; 24beta-Ethyl-5-cholesten-3beta-ol; 24S-Ethylcholest-5-en-3b-ol; CTK3E8527; Angelicin; Stigmast-5-en-3-beta-ol; 4-Hydroxy-5-benzofuranacrylic acid gamma-lactone; Angelicin (coumarin derivative); Poriferast-5-en-3beta-ol; Prostasal; CCRIS 4276; Isopsoralen; GAMMA-SITOSTEROL; AC-11107; .beta.-Dihydrofucosterol; furo[2,3-h]chromen-2-one; EINECS 201-480-6; angelicin ; (24S)-stigmast-5-en-3beta-ol; Betaprost; 24b-Ethylcholesterol; Stigmast-5-en-3-ol, (3.beta.,24S)-; 22,23-Dihydroporiferasterol; 39310-13-9; NSC 8096; Stigmast-5-en-3; 24-ethylcholest-5-en-3 beta-ol; Angelicin (coumarin deriv); ST023306; A-Ethylcholesterol; .gamma.-Sitosterol; KZJWDPNRJALLNS-OAIXMFQVSA-N; 24S-Ethylcholest-5-en-3.beta.-ol; beta-Dihydrofucosterol; Stigmast-5-en-3-ol, (3beta,24S)-; Oprea1_022970; C19654; CHEMBL393008; 2H-Furo(2,3-h)(1)benzopyran-2-one; (3-beta)-Stigmast-5-en-3-ol; ZINC00073700; AI3-26020; stigmast-5-ene-3beta-ol; LMST01040122; NSC 404563; 11027-08-0; NSC 18173; 8005-42-3; Angelicin plus ultraviolet A radiation [Angelicins]; b-Dihydrofucosterol; CCRIS 5529; (3beta,24S)-Stigmast-5-en-3-ol; CHEBI:28928; 24.beta.-Ethyl-5-cholesten-3.beta.-ol; BRN 0153970; 24.beta.-Ethylcholesterol; 24beta-Ethylcholesterol; (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol; Furo(5',4':7,8)coumarin; 4736-89-4; A-Sitosterol; AC1L9X94; 2-Propenoic acid, 3-(4-hydroxy-5-benzofuranyl)-, .delta.-lactone; 2-furo[2,3-h]chromenone; Furo(2,3-h)coumarin; 2-Propenoic acid, 3-(4-hydroxy-5-benzofuranyl)-, delta-lactone; 3-(4-Hydroxy-5-benzofuranyl)-2-propenoic acid gamma-lactone; isopsoralen; 2H-Furo(2,3-H)-1-benzopyran-2-one; 5LI01C78DD; A0956_SIGMA; Angecin; Ambotz83-46-5; 24b-Ethylcholest-5-en-3b-ol; 24S-Ethylcholest-5-en-3beta-ol; UNII-5LI01C78DD; 523-50-2; 2-Oxo-(2H)-furo(2,3-h)-1-benzopyran; 83-47-6; Stigmast-5-en-3-ol, (3b,24S)-; Stigmast-5-en-3.beta.-ol, (24S)-; 5-Stigmasten-3; Fucosterol, .beta.-dihydro-; C09060; sitosterol, (3beta)-isomer; LS-1826; AKOS025401337; (24R)-Ethylcholest-5-en-3; SCHEMBL219424 | C11H6O3 | 186.16 g/mol | C1=CC2=C(C=CO2)C3=C1C=CC(=O)O3 |
| TCMBANKIN058436 | 2, 4-dihydroxy pyrimidine | NSC3970; C00106; 16908-84-2; U3879_SIGMA; 2,4-Pyrimidinediol; 2-hydroxy-4(3H)-pyrimidinone; 66-22-8; Pirod; 144104-68-7; SQ 7726; Uracil-2-14C; 2,4-Pyrimidinedione; 4433-21-0; D00027; 24897-50-5; U0750_SIGMA; AI3-25470; 766-19-8; U1128_SIGMA; SQ 8493; ST5165192; SQ 6201; 2-hydroxy-4(1H)-pyrimidinone; 2,4-Dioxopyrimidine; 1H-pyrimidine-2,4-dione; Urazil; Pyrod; EINECS 200-621-9; Hybar X; Uracil (JAN/USAN); CHEBI:17568; 6-(3,5-Dimethylbenzyl)-5-ethyl-1-[4-(13-ethyl-17-hydroxy-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-ylethynyl)benzyloxymethyl]uracil; Uracil-5-d; NCIMech_000782; AC-907/30002021; 2,4-Dihydroxypyrimidine; 42910-77-0; NSC 3970; NSC29742; ZINC00895045; STK301734; AIDS009895; Uracil (8CI); URACIL; Uracil [USAN]; 6-[(3,5-dimethylphenyl)methyl]-5-ethyl-1-[[4-[2-(13-ethyl-17-hydroxy-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl)ethynyl]phenyl]methoxymethyl]pyrimidine-2,4-dione; pyrimidine-2,4(1H,3H)-dione; 4433-24-3; 2,4-(1H,3H)-pyrimidinedione (9CI); CCRIS 3077; RU 12709; Ura; 2,4(1H,3H)-Pyrimidinedione; BMS 205603-01; InChI=1/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8; 2,4(1H,3H)-Pyrimidinedione (9CI); NCI60_003718; 4-hydroxy-2(1H)-pyrimidinone; 2,4(1H,3H)-Pyrimidinedione, labeled with tritium; AIDS-009895 | C4H4N2O2 | 112.09 g/mol | C1=CNC(=O)NC1=O |
| TCMBANKIN058450 | ADO | nchembio.2007.56-comp13; CHEBI:16335; Bio1_000437; 9-beta-D-Ribofuranosyl-9H-purin-6-amine; AIDS-001224; 9beta-D-Ribofuranosyladenine; BSPBio_001796; beta-Adenosine; (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-methylol-tetrahydrofuran-3,4-diol; beta-D-Ribofuranoside, adenine-9; D00045; 46969-16-8; SDCCGMLS-0003108.P003; 4-Aminopyrazolo[3,4-d]pyrimidine ribonucleoside; (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; 6-Amino-9-.beta.-ribofuranosyl-9H-purine; NSC 7652; Bio1_001415; Adenosine (JAN/USP); Spectrum2_001257; Spectrum3_000288; Adenosine, homopolymer; ADN; Caswell No. 010B; Adenocard; C00212; SR 96225; Adenocard (TN); EINECS 200-389-9; KBio3_001296; 9H-Purin-6-amine, 9beta-D-ribofuranosyl-; Polyadenosine; beta-D-Ribofuranose, 1-(6-amino-9H-purin-9-yl)-1-deoxy-; (2R,3R,4S,5R)-2-(6-amino-9-purinyl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol; MLS000069638; AI3-52413; 9-beta-D-Ribofuranosidoadenine; A9251_SIGMA; Adenoscan (TN); Bio1_000926; ZINC02169830; CCRIS 2557; NCGC00023673-05; Ade-Rib; nchembio706-5; 30143-02-3; 6-Amino-9-beta-D-ribofuranosyl-9H-purine; Adenosin [German]; NSC 627048; SMR000058216; 9-beta-D-Ribofuranosyladenine; SPBio_001194; beta-D-Adenosine; Adenosine [USAN:BAN]; Polyriboadenosine; (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol; AIDS001224; 6-Amino-9beta-D-ribofuranosyl-9H-purine; ST009496; Adenoscan; A4036_SIGMA; SPECTRUM1500107; 46946-45-6;SCHEMBL170902; adenosine ; AKOS015960342; AC-5504; BC200893; Adenosine;adenosine;adeninenucleoside | C10H13N5O4 | 267.24 g/mol | C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N |
| TCMBANKIN058682 | hotrienol | 3,7-Dimethyloct-1,5,7-trien-3-ol; 3,7-dimethyl-1,5,7-octatrien-3-ol | C10H16O | 152.23 g/mol | CC(=C)C=CCC(C)(C=C)O |
| TCMBANKIN058716 | β-selinene | ZINC8234293; (4aR,7R,8aS)-4a-methyl-1-methylidene-7-(prop-1-en-2-yl)decahydronaphthalene eudesma-4(14),11-diene; .beta.-Eudesmene; CHEBI:10443; YOVSPTNQHMDJAG-QLFBSQMISA-N; Eudesma-4(14),11-diene; (4aR,7R,8aS)-4a-methyl-1-methylidene-7-(prop-1-en-2-yl)decahydronaphthalene; (4aR,7R,8aS)-7-isopropenyl-4a-methyl-1-methylenedecahydronaphthalene; beta-selinene; CHEMBL2287242; beta-Selinene; eudesemene; 17066-67-0; beta-Eudesmene; BETA-SELINENE; beta-selinene ; (4aR,7R,8aS)-7-isopropenyl-4a-methyl-1-methylene-decalin; (4aR,7R,8aS)-7-isopropenyl-4a-methyl-1-methylenedecalin; beta-selinene ; β- Selinene; (+)-beta-Selinene; (3R,4aS,8aR)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-1,2,3,4,4a,6,7,8-octahydronaphthalene; .beta.-Selinene; [4aR-(4aalpha,7alpha,8abeta)]-decahydro-4a-methyl-1-methylene-7-(1-methylethenyl)-naphthalene; 7-Isopropenyl-4a-methyl-1-methylenedecahydronaphthalene-, (4aR-(4a.alpha.,7.alpha.,8a.beta.))-; (4ar,7r,8as)-decahydro-4a-methyl-1-methylene-7-(1-methylethenyl)-naphthalene; AC1L9CQH; (+)-.beta.-Selinene; LMPR0103190014; C09723; Naphthalene, decahydro-4a-methyl-1-methylene-7-(1-methylethenyl)-, [4aR-(4a.alpha.,7.alpha.,8a.beta.)]-;eudesma-4(14),11-diene; Eudesma-4(14), 11-diene;b-selinene;Eudesma-4(14),11-diene;Selinene;(4aS,7S,8aR)-7-isopropenyl-4a-methyl-1-methylenedecalin;(4aS,7S,8aR)-7-isopropenyl-4a-methyl-1-methylene-decalin; 18423-23-9; Naphthalene, decahydro-4a-methyl-1-methylene-7-(1-methylethenyl)-, (4aR-(4aalpha,7alpha,8abeta))-; (3S,4aR,8aS)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-1,2,3,4,4a,6,7,8-octahydronaphthalene | C15H24 | 204.35 g/mol | CC(=C)C1CCC2(CCCC(=C)C2C1)C |
| TCMBANKIN058761 | (E)ocimene | (E)- ocimene; (E)-ocimene;p-Ocimene;3,7-Dimethyl-1,3,6-octatriene;trans-ocimene;trans- beta- Ocimene;ocimene;β-trans-ocimene;3,7-dimethyl-1,3e,6-octatriene;3,7-Dimethylocta-1,3,6-triene; 3,7-Dimethyl-1,3,6-octatriene (natural); beta-trans-Ocimene; EINECS 223-241-5; 74730_FLUKA; 11009-78-2; ST5410145; 3,7-Dimethyl-1,3,6-octatrien; 27400-72-2; FEMA No. 3539; 3,7-DIMETHYL-1,3,6-OCTATRIENE; (E)-3,7-Dimethyloctatriene; 1856-63-9; 11022-64-3; EINECS 237-641-2; BETA-OCIMENE, TRANS; 1,3,6-Octatriene, 3,7-dimethyl-, (E)-; .beta.-trans-Ocimene; 13877-91-3; .beta.-Ocimene; Octatriene, 3,7-dimethyl-, (E)-; beta-Ocimene; trans-beta-Ocimene; 1,3,6-Octatriene, 3,7-dimethyl-; Ocimene, beta-; 3779-61-1; (E)-3,7-Dimethylocta-1,3,6-triene; Ocimene trans-beta-form; (3E)-3,7-dimethylocta-1,3,6-triene; C09873;trans-β-Oci-mene; Trans- β- ocimene; trans-beta-ocimene;EINECS 249-805-0; AC1O5HAL; LS-98065; (3E,5E)-3,7-dimethylocta-1,3,5-triene; 2,6-Dimethyloctane, hexadehydro derivative; 29714-87-2; Dimethyloctatriene (mixed isomer);beta-trans-ocimene;3,7-Dimethylocta-1,3,6-triene; 3,7-Dimethyl-1,3,6-octatriene (natural); beta-trans-Ocimene; EINECS 223-241-5; 74730_FLUKA; 11009-78-2; ST5410145; 3,7-Dimethyl-1,3,6-octatrien; 27400-72-2; FEMA No. 3539; 3,7-DIMETHYL-1,3,6-OCTATRIENE; (E)-3,7-Dimethyloctatriene; 1856-63-9; 11022-64-3; EINECS 237-641-2; BETA-OCIMENE, TRANS; 1,3,6-Octatriene, 3,7-dimethyl-, (E)-; .beta.-trans-Ocimene; 13877-91-3; .beta.-Ocimene; Octatriene, 3,7-dimethyl-, (E)-; beta-Ocimene; trans-beta-Ocimene; 1,3,6-Octatriene, 3,7-dimethyl-; Ocimene, beta-; 3779-61-1; (E)-3,7-Dimethylocta-1,3,6-triene; Ocimene trans-beta-form; (3E)-3,7-dimethylocta-1,3,6-triene; C09873;ci-mene; Trans- β- ocimene; trans-beta-ocimene;EINECS 249-805-0; AC1O5HAL; LS-98065; (3E,5E)-3,7-dimethylocta-1,3,5-triene; 2,6-Dimethyloctane, hexadehydro derivative; 29714-87-2; Dimethyloctatriene (mixed isomer);beta-trans-ocimene | C10H16 | 136.23 g/mol | CC(=CCC=C(C)C=C)C |
| TCMBANKIN058816 | beta-myrcene | 7-Methyl-3-methylene-octa-1,6-diene; DSSTox_RID_77883; Q-201417; CJ-23958; Myrcene, >=95%, stabilized, FCC, FG; A805060; MYRCENE, TECH; 123-35-3; STL477735; FEMA 2762; AN-22914; beta-geraniolene; LS-678; 7-Methyl-3-methylene-1,6-octadiene (myrcene); AK116901; V0542; AI3-00738; .beta.-Myrcene; 7-Methyl-3-methylene-1,6-octadiene (beta -myrcene); Myrcene, analytical standard; NCGC00254252-01; NSC-406264; ST24029965; 7-?Methyl-?3-?methylene-?1,6-?octadiene; RP20298; C06074; NCGC00091420-02; CHEBI:17221; AC1Q1NVC; Tox21_300351; MYRCENE; 2153-31-3; DSSTox_CID_5692; Jsp001569; FEMA No. 2762; FCH1116940; beta -mircene; beta -myrcene; 7-methyl-3-methylidene-octa-1,6-diene; 7-methyl-3-methylideneocta-1,6-diene; β-myrcene; Myrcene (stabilized with BHT); 2-Methyl-6-methylene-2,7-octadiene; BRN 1719990; WLN: 1Y1&U3YU1&1U1; beta- Myrcene; UAHWPYUMFXYFJY-UHFFFAOYSA-N; 7-Methyl-3-methyleneoctadiene-(1,6); 3-Methylene-7-methyl-1, 6-octadiene; NCGC00091420-01; Mycrene Solution, 1000 mg/L, 1 ml (RM, ISO Guide 34); EINECS 204-622-5; DTXSID6025692; DSSTox_GSID_25692; β- myrcene; Myrcene, technical grade; beta-Myrcene; MYRCENE 90; LMPR0102010005; Myrcene, primary pharmaceutical reference standard; NSC 406264; KS-00000WLP; HSDB 1258; AC1Q1J8N; Myrcene, .beta.-; 3M39CZS25B; beta-Myrcene (>90%); TR-003681; AJ-26651; ZINC1530331; FT-0629050; CHEMBL455491; UNII-3M39CZS25B; NSC406264; MolPort-001-792-515; beta-myrcene ; I14-17984; CCRIS 3725; 7-methyl-3-methylene-1,6 octadiene; C-34801; M0235; AKOS015904015; CAS-123-35-3; AC1L1L8S; .beta.-Geraniolene; 7-Methyl-3-methyleneocta-1,6-diene; CC-31053; b-Geraniolene; 7-Methyl-3-methylene-1,6-octadiene; 4-01-00-01108 (Beilstein Handbook Reference); Myrcene (natural); EC 204-622-5; MFCD00008908; b-Myrcene; 1,6-Octadiene, 7-methyl-3-methylene-; 3-Methylene-7-methyl-1,6-octadiene; InChI=1/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7H,1,4,6,8H2,2-3H; 1, 7-methyl-3-methylene- | C10H16 | 136.23 g/mol | CC(=CCCC(=C)C=C)C |
| TCMBANKIN058893 | bergamotene | β-Bergamotene; beta-bergamotene | C15H24 | 204.35 g/mol | CC(=CCCC1(C2CCC(=C)C1C2)C)C |
| TCMBANKIN058922 | 2,4-dihydroxy acetophenone;WLN: QR CQ DV1 | W-100356; NSC10883; Resorcinol, 4-acetyl-; KB-17586; AC1Q5ED3; AC1L1NR7; TC-067541; ACMC-209r36; NSC-10883; 2',4'-Dihydroxyacetophenone, 99%; 2,4,-dihydroxyacetophenone; AKOS 90593; 2',4'-DIHYDROXYACETOPHENONE; 1-(2,4-Dihydroxyphenyl)ethanone, 9CI; ST053782; SCHEMBL26357; 4-Acetylresorcinol; beta-Resacetophenone; 2,4-Dihydroxyacetophenone; SULYEHHGGXARJS-UHFFFAOYSA-N; NSC 10883; AN-15263; FS-3456; 1-Acetyl-2,4-dihydroxybenzene; ZB001051; 1-(2,4-Dihydroxyphenyl)ethanone; 2,4-dihydroxyacetophenone; 1,3-Dihydroxy-4-acetylbenzene; .beta.-Resacetophenone; Acetophenone, 2',4'-dihydroxy-; BC676988; BG00600671; AS01140; BIDD:ER0659; AB1002103; SC-07232; MFCD00002279; 4-Acetyl-1,3-benzenediol; NSC-37559; 2,4-Dihydroxy Acetophenone; EINECS 201-945-3; KSC448A9T; AC-1105; TRA0025245; DTXSID4058998; 2,4-DIHYDROOXYACETOPHENONE; ANW-39376; FT-0610122; 2'4'-dihydroxyacetophenone; Ethanone, 1-(2,4-dihydroxyphenyl)-; SBB040836; 1-(2,4-dihydroxy-phenyl)-ethanone; ST2414924; 89-84-9; STK084318; Resoacetophenone; RTC-067541; UC3V356VZC; F1995-0239; 4CN-0699; Resacetophenone; 2,4-dihydroxy actophenone; PubChem3375; 2',4'-Dihydroxyacetophenon; D0561; BBL012128; WLN: QR CQ DV1; 1-Acetyl-2,4-dihydroxybenzene; 4-Acetylresorcinol; Resacetophenone; BRN 1282505; BB_SC-6691; 2,4-dihyroxyacetophenone; MolPort-000-482-777; AKOS BBS-00004294; I01-2131; AC1Q1JHT; AK-50224; ZINC38028; C03663; InChI=1/C8H8O3/c1-5(9)7-3-2-6(10)4-8(7)11/h2-4,10-11H,1H; 1-(2,4-dihydroxyphenyl)ethan-1-one; CS-W008599; TL8005791; BDBM50241221; RL05645; BG01499417; UKRORGSYN-BB BBR-007146; TIMTEC-BB SBB040836; STR03384; 4-Acetyl-Resorcinol; dihydroxyacetophenon; S-1332; KS-00000C03; CHEMBL243374; AM20041337; CJ-00226; 1-Acetylbenzene-2,4-diol; 2',4'-Dihydroxy-acetophenone; 2'',4''-dihydroxyacetophenone; UNII-UC3V356VZC; CHEBI:18414; NSC37559; 1-(2,4-Dihydroxyphenyl)-ethanone; MCULE-8687773185; AI3-00866; CTK3E8099; LS-13469; Z57101026; 4-08-00-01792 (Beilstein Handbook Reference); AJ-08777; AB0000224; AKOS000119522;.beta.-Resacetophenone; Acetophenone, 2',4'-dihydroxy-; NSC10883; 89-84-9; Resoacetophenone; AIDS-017971; Resorcinol, 4-acetyl-; 37450_FLUKA; Resacetophenone; ZINC00038028; EINECS 201-945-3; 2',4'-Dihydroxyacetophenone; D107409_ALDRICH; ST053782; 2′,4′-Dihydroxyacetophenone; BRN 1282505; 4-Acetylresorcinol; 2,4-Dihydroxyacetophenone; NSC 10883; NSC37559; CHEBI:18414; AI3-00866; C03663; AIDS017971; InChI=1/C8H8O3/c1-5(9)7-3-2-6(10)4-8(7)11/h2-4,10-11H,1H; 4-08-00-01792 (Beilstein Handbook Reference); 1-Acetyl-2,4-dihydroxybenzene; Ethanone, 1-(2,4-dihydroxyphenyl)-; 1-(2,4-Dihydroxyphenyl)ethanone | C8H8O3 | 152.15 | CC(=O)C1=C(C=C(C=C1)O)O |
| TCMBANKIN058936 | Hypnon | 1-Phenylethanone; InChI=1/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H; C07113; Acetylbenzene; ZINC00896628; Ethanone, 1-phenyl-; Acetophenon; 00790_FLUKA; Ketone, methyl phenyl; WLN: 1VR; 442438_SUPELCO; Methyl phenyl ketone; Usaf ek-496; 42163_FLUKA; Ketone, methyl phenyl-; Benzoyl methide; AI3-00575; AIDS-017929; W200905_ALDRICH; FEMA Number 2009; RCRA waste number U004; FEMA No. 2009; Phenyl methyl ketone; NSC 7635; RCRA waste no. U004; NSC7635; A10701_ALDRICH; 98-86-2; CCRIS 1341; AC0; Acetophenone; ST5213401; EINECS 202-708-7; CHEBI:27632; Hypnone; 1-phenylethan-1-one; HSDB 969; Benzoylmethide; 1-Phenyl-1-ethanone; Benzene, acetyl-; c0117; AIDS017929; Acetofenon [Czech]; Acetylbenzol;1-(Phenyl-D5)-Ethanon; NSC 98542-d5; 1-[(2,3,4,5,6-(2)H?)PHENYL]ETHANONE; Acetophenone-(phenyl-d5), 99 atom % D; ACM28077647; DTXSID70466417; Acetophenone-2',3',4',5',6'-d5; Acetophenon-d5; pentadeuterophenyl methyl ketone; FT-0661057; Acetylbenzene-d5; Hypnone-d5; MFCD00064446; 1-(Phenyl-d5)ethanone; 1-(2,3,4,5,6-pentadeuteriophenyl)ethanone; Acetophenone-2/',3/',4/',5/',6/'-d5; SCHEMBL1332185; Methyl (Phenyl-d5) Ketone; DE155; J-016964; 28077-64-7; 1-(Phenyl-d5)-1-ethanone; MolPort-003-929-975; NSC 7635-d5; (Phenyl-d5) Methyl Ketone; Acetophenone-(phenyl-d5); Acetophenone-d5; Acetophenone-2 inverted exclamation marka,3 inverted exclamation marka,4 inverted exclamation marka,5 inverted exclamation marka,6 inverted exclamation marka-d5; Hypnon-d5; 1-Feniletanone-d5; Acetophenone-(phenyl-d5) 99 atom % D; 1-Phenylethanone-d5; Acetophenone-2'3'4'5'6-d5;phenyl-ethanone;acetophenone;phenylethanone;1-phenylethanone | C8H8O | 120.15 g/mol | CC(=O)C1=CC=CC=C1 |
| TCMBANKIN059095 | 2-methyl-3-buten-2-ol | alpha,alpha-Dimethylallyl alcohol; 2-methylbut-3-ene-2-ol; 3-Hydroxy-3-methylbutene; TRA0020327; Methylbutenol; DTXSID3047471; 2-METHYL-3-BUTEN-2-OL; 1,1-Dimethyl-2-propen-1-ol; CAS-115-18-4; CTK0H5270; CHEBI:132752; .alpha.,.alpha.-Dimethylallyl alcohol; ACMC-1C7AH; 1,1-Dimethyl-2-propenyl alcoho; 3-Hydroxy-3-methyl-1-butene; isoprenyl alcohol; NCGC00357265-01; 3-Butyn-2-ol, 2-methyl- (8CI,9CI); RTR-034118; 2-Methyl-3-buten-2-ol, analytical standard; 3-methylbut-1-en-3-ol; AN-22741; AI3-23122; 4-01-00-02132 (Beilstein Handbook Reference); 1-dimethyl-2-propenol; UNII-SH64HE46L9; Dimethylvinylmethanol; NSC15977; 1,1-dimethyl-2-propenyl alcohol; STOCK1N-73566; 2-vinyl-2-propanol; 1,1-Dimethylallyl alchol; 3-Methyl-1-butene-3-ol; MCULE-5809739830; 3-Methyl-buten-(1)-ol-(3) [German]; 2-Methyl-3-butene-2-ol; 2-hydroxy-2-methyl-3-butene; methyl-3-buten-2-ol, 2-; 2-methyl-but-3-en-2-ol; 3-methyl-but-1-en-3-ol; NSC-15977; 115-18-4; KSC175E7B; AC1Q718W; KB-68998; Jsp001113; AKOS009156785; SH64HE46L9; 1,1-Dimethyl-2-propanol; AC1L1QLP; 1, 1-Dimethyl-2-propenol; C5H10O; BRN 1698263; CJ-29489; ZINC1733761; 2-Methyl-3-buten-2-ol, 98%; 2-Methyl-2-hydroxy-3-butene; EINECS 204-068-4; I14-17405; LS-47240; 3-hydroxy-3-methylbut-1-ene; NSC 15977; 3-methyl-3-hydroxybut-1-ene; 3-Buten-2-ol, 2-methyl-; EC 204-068-4; Dimethylvinylcarbinol; dimethyl vinyl carbinol; FT-0612937; DSSTox_GSID_47471; C21402; Tox21_303823; 2-Methyl-3-buten-2-ol, >=98%; 1-dimethylallyl alcohol; MolPort-001-792-058; 3-methyl-buten-3-ol; 7316AF; InChI=1/C5H10O/c1-4-5(2,3)6/h4,6H,1H2,2-3H; 1,1-Dimethylallyl alcohol; 2-Methyl but-3-ene-2-ol; 1-Buten-3-ol, 3-methyl-; 2-Methyl-3-buten-2-yl alcohol; M0178; 3-Methyl-1-buten-3-ol; TR-034118; HNVRRHSXBLFLIG-UHFFFAOYSA-N; 1,1-Dimethyl-2-propenol; DSSTox_CID_27471; Vinyldimethylcarbinol; CH2=CHC(CH3)2OH; ANW-16850; KS-00000UWF; DB-060705; MFCD00004470; 2-Methylbut-3-en-2-ol; 3-Methyl-buten-(1)-ol-(3); AC1Q1NNW; 1, 1-Dimethylallyl alcohol1,1-Dimethylallyl alchol; alpha,alpha-Dimethylallyl alcohol; 2-Methyl-3-buten-2-ol; 3-Hydroxy-3-methylbutene; EINECS 204-068-4; 66090_FLUKA; InChI=1/C5H10O/c1-4-5(2,3)6/h4,6H,1H2,2-3H; 1,1-Dimethylallyl alcohol; 3-Methyl-buten-(1)-ol-(3) [German]; .alpha.,.alpha.-Dimethylallyl alcohol; 1-Buten-3-ol, 3-methyl-; 115-18-4; 2-Methyl-3-buten-2-yl alcohol; 3-Methyl-1-buten-3-ol; W503908_ALDRICH; 3-Hydroxy-3-methyl-1-butene; NSC 15977; 3-Butyn-2-ol, 2-methyl- (8CI,9CI); 3-Buten-2-ol, 2-methyl-; 1,1-Dimethyl-2-propanol; Vinyldimethylcarbinol; ZINC01733761; AI3-23122; 4-01-00-02132 (Beilstein Handbook Reference); 2-Methylbut-3-en-2-ol; BRN 1698263; Dimethylvinylcarbinol; Dimethylvinylmethanol; 136816_ALDRICH; 1,1-Dimethyl-2-propenol; NSC15977; 2-Methyl-2-hydroxy-3-butene | C5H10O | 86.13 g/mol | CC(C)(C=C)O |
| TCMBANKIN059178 | benzaldehyde,4-(1-methylethyl) | P-ISOPROPYLBENZALDEHYDE; 4(2-propyl)-benzaldehyde; NSC-4886; 4-(Methylethyl)benzaldehyde; 4-propan-2-ylbenzaldehyde; 4-isopropylbenzaldehyde; NSC4886; WTWBUQJHJGUZCY-UHFFFAOYSA-N; EINECS 204-516-9; (4-isopropyl-phenyl)-methanone; p-Cuminic aldehyde; AJ-24583; KB-39398; AC1Q1P0K; p-(1-methylethyl)benzaldehyde; ZB015528; InChI=1/C10H12O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-8H,1-2H; ACMC-1BVEJ; Cumal; C06577; NSC 4886; cumaldehyde; MCULE-4415970320; RP21225; SBB040237; ST50213395; DTXSID9021974; Cumin aldehyde; BDBM50139366; SCHEMBL87226; P-isopropyl benzaldehyde; 4-Isopropyl-benzaldehyde; NCGC00257518-01; TR-030618; cuminic aldehyde; NCGC00248148-01; FEMA No. 2341; 4-(isopropyl)benzaldehyde; LS-2642; p-Isopropylbenzenecarboxaldehyde; CJ-04641; Cuminaldehyde, 98%; AI3-01853; 122-03-2; UNII-O0893NC35F; ANW-17932; p-Isopropylbenzaldehyde, f; 4-(Propan-2-Yl)Benzaldehyde; bmse000508; FT-0624115; 4(isopropyl)benzaldehyde; AN-13943; RTR-030618; Cuminal p-(1-methylethyl)benzaldehyde; KSC176K3D; Cuminadlehyde; DSSTox_RID_76435; ST2418438; MolPort-000-871-215; Cuminaldehyde, analytical standard; p-iso-Propylbenzaldehyde; AC1L18ZP; AS-12957; F2190-0632; EC 204-516-9; ZINC968248; 4-iPr-Benzaldehyde; DSSTox_CID_1974; p-cumic aldehyde; DB-041645; I0168; cuminaldehyde; CHEBI:28671; W-108440; CTK0H6531; AC1Q1ONB; AK-44502; 4-isopropyl benzaldehyde; Cuminyl aldehyde; 4isopropylbenzaldehyde; Benzaldehyde, 4-(1-methylethyl)-; 4-Isopropylphenylcarboxaldehyde; p-isopropyl-benzaldehyde; Benzaldehyde, p-isopropyl-; p-isopropyl benzaldehyde; Cuminaldehyde, >=98%, FCC, FG; I01-7253; Cumic aldehyde; O0893NC35F; 4-Isopropylbenzenecarboxylate; 4-07-00-00723 (Beilstein Handbook Reference); CHEMBL161577; AKOS000119738; BRN 0636547; DSSTox_GSID_21974; Tox21_300712; Cuminaldehyd; MFCD00006953; AC-2430; 4-(1-Methylethyl)benzaldehyde; p-isopropyl-Benzaldehyde; cuminal; CAS-122-03-2; WLN: VHR DY1 & 1;FEMA No. 2341; ZB015528; W-108440; CAS-122-03-2; InChI=1/C10H12O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-8H,1-2H; P-ISOPROPYLBENZALDEHYDE; Cumal; C06577; LS-2642; DSSTox_GSID_21974; I01-7253; 4(2-propyl)-benzaldehyde; Cumic aldehyde; TR-030618; EC 204-516-9; Cuminaldehyde, >=98%, FCC, FG; 4-07-00-00723 (Beilstein Handbook Reference); 4(isopropyl)benzaldehyde; DTXSID9021974; CTK0H6531; SCHEMBL87226; KSC176K3D; BRN 0636547; AN-13943; Cumin aldehyde; 122-03-2; P-isopropyl benzaldehyde; MFCD00006953; BDBM50139366; AKOS000119738; p-Isopropylbenzaldehyde, f; AK-44502; p-Isopropylbenzenecarboxaldehyde; AS-12957; EINECS 204-516-9; ZINC968248; Tox21_300712; 4-propan-2-ylbenzaldehyde; cuminic aldehyde; AC1Q1P0K; ST50213395; I0168; CHEMBL161577; NSC-4886; MolPort-000-871-215; p-cumic aldehyde; NCGC00248148-01; 4-iPr-Benzaldehyde; 4-isopropyl benzaldehyde; ACMC-1BVEJ; Cuminaldehyde, 98%; p-(1-methylethyl)benzaldehyde; NSC4886; 4-Isopropyl-benzaldehyde; AJ-24583; Cuminyl aldehyde; 4-isopropylbenzaldehyde; 4-(Methylethyl)benzaldehyde; FT-0624115; MCULE-4415970320; DSSTox_CID_1974; 4-(1-Methylethyl)benzaldehyde; p-isopropyl-Benzaldehyde; Cuminaldehyde, analytical standard; RTR-030618; AC1Q1ONB; F2190-0632; UNII-O0893NC35F; WLN: VHR DY1 & 1; 4-(isopropyl)benzaldehyde; cuminaldehyde; bmse000508; (4-isopropyl-phenyl)-methanone; RP21225; Cuminadlehyde; 4-(Propan-2-Yl)Benzaldehyde; Benzaldehyde, 4-(1-methylethyl)-; ST2418438; WTWBUQJHJGUZCY-UHFFFAOYSA-N; AC-2430; p-iso-Propylbenzaldehyde; Benzaldehyde, p-isopropyl-; 4-Isopropylbenzenecarboxylate; cuminal; NCGC00257518-01; SBB040237; 4-Isopropylphenylcarboxaldehyde; NSC 4886; p-Cuminic aldehyde; KB-39398; AI3-01853; AC1L18ZP; O0893NC35F; Cuminaldehyd; ANW-17932; DSSTox_RID_76435; Cuminal p-(1-methylethyl)benzaldehyde; DB-041645; CHEBI:28671; 4isopropylbenzaldehyde; CJ-04641 | C10H12O | 148.2 g/mol | CC(C)C1=CC=C(C=C1)C=O |
| TCMBANKIN059188 | beta-Terpinene | 1-isopropyl-4-methylene-cyclohexene; β-terpinene; 1-isopropyl-4-methylenecyclohexene; EINECS 202-793-0; 4-methylidene-1-propan-2-ylcyclohexene; p-Mentha-1(7),3-diene; 4-methylidene-1-propan-2-yl-cyclohexene; 99-84-3; Cyclohexene, 4-methylene-1-(1-methylethyl)-; Cyclohexene,4-methylene-1-(1-methylethyl)-; belta-terinene;Cyclohexene,4-methylene-1-(1-methylethyl) | C10H16 | 136.23 | CC(C)C1=CCC(=C)CC1 |
| TCMBANKIN059247 | 3-methylbutyl-benzene | C11H16 | 148.24 g/mol | CC(C)CCC1=CC=CC=C1 | |
| TCMBANKIN059250 | 4-Cholesten-3-one | ST5308569; ZINC03861362; NSC 63000; (8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one; 3-Keto-4-cholestene; EINECS 210-005-1; 188174_ALDRICH; 80868-58-2; 26720_FLUKA; C00599; LMST01010015; 3-Oxo-4-cholestene; CHEBI:16175; NSC 134926; delta(sup 4)-Cholestenone; (8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one; ()-4-Cholesten-3-one; △4-cholestenone | C27H44O | 384.64 | CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C |
| TCMBANKIN059399 | Allocymene | C10H16 | 136.23 | CC=C(C)C=CC=C(C)C | |
| TCMBANKIN059438 | 2-methoxy-4-propenyl phenol | C10H12O2 | 164.2 g/mol | CC=CC1=CC(=C(C=C1)O)OC | |
| TCMBANKIN059527 | (+)-Camphene | C10H16 | 136.23 g/mol | CC1(C2CCC(C2)C1=C)C | |
| TCMBANKIN059566 | 6-O-E-Feruloylajugol | 524.57 | CC1(CC(C2C1C(OC=C2)OC3C(C(C(C(O3)CO)O)O)O)OC(=O)C=CC4=CC(=C(C=C4)O)OC)O | ||
| TCMBANKIN059686 | 2,3-Dimethylphenol | C8H10O | 122.16 | CC1=C(C(=CC=C1)O)C | |
| TCMBANKIN059715 | vitamin a | C20H30O | 286.5 g/mol | CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCO)C)C | |
| TCMBANKIN059724 | Phenol, 2-methyl-5-(1-methylethyl) | C10H14O | 150.22 g/mol | CC1=C(C=C(C=C1)C(C)C)O | |
| TCMBANKIN059726 | carvacrol acetate | C12H16O2 | 192.25 g/mol | CC1=C(C=C(C=C1)C(C)C)OC(=O)C | |
| TCMBANKIN059828 | 2,4,6-trimethylbenzaldehyde | C10H12O | 148.2 g/mol | CC1=CC(=C(C(=C1)C)C=O)C | |
| TCMBANKIN059834 | 1,4-Benzenediol,2,3,5-trimethyl- | C9H12O2 | 152.19 g/mol | CC1=CC(=C(C(=C1O)C)C)O | |
| TCMBANKIN059840 | 2,5-dimethylbenzaldehyde | C9H10O | 134.18 | CC1=CC(=C(C=C1)C)C=O | |
| TCMBANKIN059842 | o-Acetyl-p-cresol | C9H10O2 | 150.17 g/mol | CC1=CC(=C(C=C1)O)C(=O)C | |
| TCMBANKIN059905 | p-isopropyltoluene;4-Isopropyltoluene;cymene;1-methyl-4-(1-methylethyl)benzene;Cymol;Para cymene;4-Cymol;p-cymene;Dolcymene | C10H14 | 134.22 g/mol | CC1=CC=C(C=C1)C(C)C | |
| TCMBANKIN059911 | cuparene | C15H22 | 202.33 g/mol | CC1=CC=C(C=C1)C2(CCCC2(C)C)C | |
| TCMBANKIN059912 | p-cresol | C7H8O | 108.14 g/mol | CC1=CC=C(C=C1)O | |
| TCMBANKIN059916 | 2,6,6-trimethyl-2,4-cycloheptadien-1-one | C10H14O | 150.22 | CC1=CC=CC(CC1=O)(C)C | |
| TCMBANKIN059922 | o-cresol;Phenol, 2- methyl-;2-hydroxytoluene | C7H8O | 108.14 g/mol | CC1=CC=CC=C1O | |
| TCMBANKIN059947 | vitamin b1 | C63H88CoN14O14P | 1356.4 g/mol | CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C(=N6)C(=C7C(C(C(=N7)C=C8C(C(C(=N8)C(=C4[N-]5)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[C-]#N.[Co+2] | |
| TCMBANKIN059960 | (-)-g-cadinene | C15H24 | 204.35 g/mol | CC1=CC2C(CC1)C(=C)CCC2C(C)C | |
| TCMBANKIN059970 | 1, 4-Cyclohexadiene, 1-methyl-4-(1-methylethyl);crithmene;4-Isopropyl-1-methyl-1,4-cyclohexadiene;Moslene;gamma-terpinene | C10H16 | 136.23 g/mol | CC1=CCC(=CC1)C(C)C | |
| TCMBANKIN059982 | d-limonene | C10H16 | 136.23 g/mol | CC1=CCC(CC1)C(=C)C | |
| TCMBANKIN059983 | β-bisabolene | C15H24 | 204.35 g/mol | CC1=CCC(CC1)C(=C)CCC=C(C)C | |
| TCMBANKIN059985 | alpha-terpinol | C10H18O | 154.25 g/mol | CC1=CCC(CC1)C(C)(C)O | |
| TCMBANKIN059999 | beta-Chamigrene | C15H24 | 204.35 g/mol | CC1=CCC2(CC1)C(=C)CCCC2(C)C | |
| TCMBANKIN060001 | thujopsene | C15H24 | 204.35 g/mol | CC1=CCC2(CCCC(C23C1C3)(C)C)C | |
| TCMBANKIN060004 | cadinene | C15H24 | 204.35 g/mol | CC1=CCC2C(C1)C(CC=C2C)C(C)C | |
| TCMBANKIN060009 | copaene; (-)-Alpha-Copaene; α-copaene | C15H24 | 204.35 g/mol | CC1=CCC2C3C1C2(CCC3C(C)C)C | |
| TCMBANKIN060050 | curzerenone | C15H18O2 | 230.3 g/mol | CC1=COC2=C1C(=O)C(C(C2)(C)C=C)C(=C)C | |
| TCMBANKIN060442 | γ-acoradiene | C15H24 | 204.35 g/mol | CC1CCC(=C(C)C)C12CCC(=CC2)C | |
| TCMBANKIN060453 | α-acoradiene;Acoradiene | C15H24 | 204.35 | CC1CCC(C12CCC(=CC2)C)C(=C)C | |
| TCMBANKIN060563 | (-)-Guaia-1(10),11-dien-15-al | C15H22O | 218.33 g/mol | CC1CCC2=C(CCC(CC12)C(=C)C)C=O | |
| TCMBANKIN060584 | 4-Epi-curcumenol | C15H22O2 | 234.33 g/mol | CC1CCC2C13CC(=C(C)C)C(O3)(C=C2C)O | |
| TCMBANKIN060659 | 2,4,6-trimethyl octane | C11H24 | 156.31 g/mol | CCC(C)CC(C)CC(C)C | |
| TCMBANKIN060679 | stigmasterol | C29H48O | 412.7 g/mol | CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C | |
| TCMBANKIN060680 | stigmasterol-3-glucoside | C35H58O6 | 574.83 g/mol | CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C | |
| TCMBANKIN060693 | Sitogluside | C35H60O6 | 576.85g/mol | CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C | |
| TCMBANKIN060733 | p-ethylphenol | C8H10O | 122.16 g/mol | CCC1=CC=C(C=C1)O | |
| TCMBANKIN060768 | BUA | C4H8O2 | 88.11g/mol | CCCC(=O)O | |
| TCMBANKIN060780 | 7-hydroxy-3-butylidene-phthalide | C12H12O3 | 204.22 g/mol | CCCC=C1C2=C(C(=CC=C2)O)C(=O)O1 | |
| TCMBANKIN060783 | (z)-5-hydroxy-3-butylidene-phthalide | C12H12O3 | 204.22 g/mol | CCCC=C1C2=C(C=CC(=C2)O)C(=O)O1 | |
| TCMBANKIN060784 | trans-ligustilide;Ligustilide | C12H14O2 | 190.24 g/mol | CCCC=C1C2=C(C=CCC2)C(=O)O1 | |
| TCMBANKIN060785 | Levistolid A | C24H28O4 | 380.48 | CCCC=C1C2=C(C3C(CC2)C4CCC35C(=C4)C(=O)OC5=CCCC)C(=O)O1 | |
| TCMBANKIN060786 | BdPh | C12H12O2 | 188.22 g/mol | CCCC=C1C2=CC=CC=C2C(=O)O1 | |
| TCMBANKIN060795 | Butal | C4H8O | 72.11 g/mol | CCCC=O | |
| TCMBANKIN060829 | homosenkyunolide h | C13H28O4 | CCCCC1C2=C(C=CC(C2)O)C(=O)O1 | ||
| TCMBANKIN060831 | senkyunolide | C12H16O2 | 192.25 g/mol | CCCCC1C2=C(C=CCC2)C(=O)O1 | |
| TCMBANKIN060834 | neocnidilide | C12H18O2 | 194.27 | CCCCC1C2CCCC=C2C(=O)O1 | |
| TCMBANKIN060845 | 6-undecanone | C11H22O | 170.29 g/mol | CCCCCC(=O)CCCCC | |
| TCMBANKIN060860 | Undecanol-6 | C11H24O | 172.31 | CCCCCC(CCCCC)O | |
| TCMBANKIN060890 | Amylbenzene | C11H16 | 148.24 g/mol | CCCCCC1=CC=CC=C1 | |
| TCMBANKIN060918 | WLN: VH6 | C7H14O | 114.19 | CCCCCCC=O | |
| TCMBANKIN060923 | 2-methyl-dodecane-5-one | C13H26O | 198.34 g/mol | CCCCCCCC(=O)CCC(C)C | |
| TCMBANKIN060977 | decanoic acid | C10H19O2- | 171.26 g/mol | CCCCCCCCCC(=O)[O-] | |
| TCMBANKIN060980 | caproic acid;capric acid;n-decanoic acid;NON | C10H20O2 | 172.26 g/mol | CCCCCCCCCC(=O)O | |
| TCMBANKIN060992 | dodecenoicacid | C12H22O2 | 198.3 g/mol | CCCCCCCCCC=CC(=O)O | |
| TCMBANKIN060994 | capraldehyde | C10H20O | 156.26 g/mol | CCCCCCCCCC=O | |
| TCMBANKIN061000 | DODECENE | C12H24 | 168.32 g/mol | CCCCCCCCCCC=C | |
| TCMBANKIN061003 | Dodekan,dodecane,n-dodecane | C12H26 | 170.33 g/mol | CCCCCCCCCCCC | |
| TCMBANKIN061011 | 1-tridecene; Tridecylene; tridecene | C13H26 | 182.35 | CCCCCCCCCCCC=C | |
| TCMBANKIN061016 | tridecane | C13H28 | 184.36 g/mol | CCCCCCCCCCCCC | |
| TCMBANKIN061024 | tetradecane | C14H28 | 196.39 g/mol | CCCCCCCCCCCCC=C | |
| TCMBANKIN061029 | myristic acid | C14H28O2 | 228.37 | CCCCCCCCCCCCCC(=O)O | |
| TCMBANKIN061033 | 3-o-tetradecanoyl-1-cyano-2-methyl-1,2-propene | C19H33NO2 | CCCCCCCCCCCCCC(=O)OCC(=CC#N)C | ||
| TCMBANKIN061055 | (E)-octadec-3-ene | C18H36 | 252.5 g/mol | CCCCCCCCCCCCCCC=CCC | |
| TCMBANKIN061128 | n-tetracosanoic acid | C24H48O2 | 368.64 g/mol | CCCCCCCCCCCCCCCCCCCCCCCC(=O)O | |
| TCMBANKIN061172 | 1-hexadecanol | C16H34O | 242.44 g/mol | CCCCCCCCCCCCCCCCO | |
| TCMBANKIN061174 | Tetradecanol | C14H30O | 214.39 g/mol | CCCCCCCCCCCCCCO | |
| TCMBANKIN061177 | dodecanol | C12H26O | 186.33 g/mol | CCCCCCCCCCCCO | |
| TCMBANKIN061251 | 4-methoxycinnamic acid ethyl ester | C12H14O3 | 206.24 | CCOC(=O)C=CC1=CC=C(C=C1)OC | |
| TCMBANKIN061425 | Methyl azelate | NSC 59040; Dimethyl nonanedioate; 1732-10-1; Azelaic acid, dimethyl ester (8CI); Azelaic acid dimethyl ester; EINECS 217-060-0; 171026_ALDRICH; AI3-06080; Dimethyl azelate; ZINC01689486; Azelaic acid, dimethyl ester; 141850-72-8; NSC59040; nonanedioic acid dimethyl ester; Nonanedioic acid, dimethyl ester; DSSTox_GSID_44807; NSC 59040; X6034; Nonadioic acid, dimethyl ester; AN-20705; MCULE-3415352484; MFCD00025898; AS-19256; AJ-29983; Nonanedioic Acid Dimethyl Ester; FT-0622519; I14-45046; DSSTox_RID_80490; CHEMBL3188858; ST24030377; AK112196; NSC59040; Dimethyl azelate, >=98.5% (GC); Nonandioic acid, dimethyl ester; Dimethyl azeleate; NCGC00256050-01; KB-251652; UNII-29185K7OEI; Tox21_301713; 1732-10-1; Azelaic acid dimethyl ester; AI3-06080; DB-023082; dimethylazelate; 141850-72-8; AKOS015913922; Nonanedioic acid, dimethyl ester; KS-000014JH; Emery 2914; Azelaic acid, dimethyl ester (8CI); 29185K7OEI; CAS-1732-10-1; EINECS 217-060-0; DRUKNYVQGHETPO-UHFFFAOYSA-N; ST50825660; Dimethyl azelate; Azelaic acid, dimethyl ester; Azelaic acid,dimethyl ester; SCHEMBL118000; MolPort-003-927-086; NSC-59040; Dimethyl azelaate #; AC1L269C; 1,9-dimethyl nonanedioate; C-11681; DTXSID1044807; DIMETHYL NONANEDIOATE; EC 217-060-0; Dimethyl azelate, technical grade, 80%; ACMC-209e65; ZINC1689486; ANW-22635; AX8125373; M112322; Nonanedioic acid, 1,9-dimethyl ester; dimethyl nonane-1,9-dioate; CC-26948; TC-111380; SBB060332; DSSTox_CID_24807; EBD2210782; CTK8B1001; Methyl azelate; dimethyl azelate | C11H20O4 | 216.27 g/mol | COC(=O)CCCCCCCC(=O)OC |
| TCMBANKIN061426 | dimethyl sebacate | Sebacic acid, dimethyl ester; NSC9415; ST50307409; Tox21_200178; dimethyl decane-1,10-dioate; MolPort-001-785-599; AE currencyO notEa paragraph signthorn(1/4)xo yen; DTXSID1026740; KSC174O5R; BB_SC-00429; EC 203-431-4; CJ-28662; DSSTox_RID_78206; CC-26989; DIMETHYL SEBACATE; AC1L1PN9; CTK0H4758; SBB060773; STK018255; BB_SC-0429; Dimethyl octane-1,8-dicarboxylate; TR-001350; AI3-00662; ANW-15441; CAS-106-79-6; RTR-001350; NCGC00248552-01; 106-79-6; MFCD00008472; RL00291; SCHEMBL35275; G87745M355; EINECS 203-431-4; CHEMBL3186083; CJ-06668; Dimethyl decanedioate; Dimethyl sebacate, >=95%; I811; AUO notEa paragraph signthorn(1/4)xo yen; AC1Q5ZZ4; NCGC00257732-01; S0027; NSC-9415; Sebacic acid, dimethyl ester (8CI); Decanedioic acid, dimethyl ester; Decanedioic Acid Dimethyl Ester; DSSTox_CID_6740; TRA0077474; AN-22447; BBL009825; J-001650; KS-00000YSZ; ZINC1699974; C-34415; DSSTox_GSID_26740; Decanedioic acid, 1,10-dimethyl ester; ACMC-2098mb; 1,10-dimethyl decanedioate; UNII-G87745M355; Methyl sebacate; ACN-S002413; 1,8-Octanedicarboxylic Acid Dimethyl Ester; LS-178727; ALOUNLDAKADEEB-UHFFFAOYSA-N; AKOS005378294; Dimethyl sebacate, 99%; FT-0653197; 1,8-Octanedicarboxylic acid-bis-methyl ester; I14-5854; NSC 9415; Dimethyl sebacate, analytical standard; MCULE-8633671524; Sebacic acid dimethyl ester; EINECS 203-431-4; Dimethyl decanedioate; Dimethyl octane-1,8-dicarboxylate; decanedioic acid dimethyl ester; AI3-00662; Sebacic acid, dimethyl ester (8CI); Decanedioic acid, dimethyl ester; Dimethyl sebacate; 223115_ALDRICH; ZINC01699974; ST5307409; NSC 9415; 106-79-6; Sebacic acid dimethyl ester | C12H22O4 | 230.3 g/mol | COC(=O)CCCCCCCCC(=O)OC |
| TCMBANKIN061528 | scopoletin | NINDS_000720; 7-hydroxy-6-methoxy-coumarin; NCGC00016349-05; 6-methoxy-7-hydroxycoumarin; 6-methoxy-7-oxidanyl-chromen-2-one; CHEBI:17488; SPBio_002884; HMS1571A05; RODXRVNMMDRFIK-UHFFFAOYSA-N; NCGC00016349-08; TR-029034; 5-18-03-00203 (Beilstein Handbook Reference); Acid, Gelseminic; 6-Methylesculetin; UNII-KLF1HS0SXJ; 7-hydroxy 6-methoxy coumarine; Scopoletin, >=99%; AB00443525; beta -methylesculetin; CS-5791; BRN 0156296; NCGC00094973-02; SR-01000841273-4; HMS2268G04; SCHEMBL147702; scopoletin ; Prestwick3_000962; CHEMBL71851; Escopoletin; Spectrum2_001207; HMS2098A05; NCGC00016349-07; NCGC00094973-03; Murrayetin; 7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one; Bio-0208; NCGC00016349-02; Prestwick2_000962; ZB002243; BG01509594; NCGC00016349-03; BPBio1_001061; Scopoletin, analytical standard; AX8035441; 0B4B9FAA-686D-4977-AA08-65F8E4F1977C; BRD-K96163925-001-06-5; ZX-AN021883; FCH1115349; AC1NQX27; 7-hydroxy-6-methoxy-chromen-2-one; KBio3_002444; DTXSID0075368; 7-Hydroxy-5-methoxycoumarin; SC-90283; ST24045669; b-Methylaesculetin; KBioGR_001348; 7-Hydroxy-6-methoxy-2H-chromen-2-one #; Gelseminic acid; ZX-AFC000681; S0367; MLS002154074; 4CN-0905; 6-O-Methylesculetin; HMS502D22; KLF1HS0SXJ; MCULE-6077230919; MLS002472878; IDI1_000720; SPECTRUM1502242; Aesculetin 6-methyl ether; C-30831; MFCD00006872; Scopoletol; Buxuletin; AB0019688; CC-34387; Chrysotropic Acid; RTR-029034; ACon1_000143; CCRIS 3592; 6-Methoxyumbelliferone; LS-55217; NSC-405647; NSC 405647; 6-Methoxy-7-hydroxycoumarin; Esculetin-6-methyl ether; BDBM50156693; ZX-AT021192; AK111291; Scopoletin, United States Pharmacopeia (USP) Reference Standard; 7-Hydroxy-6-methoxy-2H-chromen-2-one; I14-14171; Prestwick1_000962; PubChem15777; MolPort-000-707-493; DivK1c_000720; A844290; AN-42608; NCGC00016349-04; ST056287; ZINC57733; BSPBio_002944; Chrysatropic acid; NCI60_003834; CAS-92-61-5; Acid, Chrysotropic; NSC405647; SR-01000841273; Prestwick0_000962; BSPBio_000963; KBio1_000720; FT-0631451; beta-Methylesculetin; Spectrum4_001054; SR-01000841273-3; AJ-09778; 7-Hydroxy-6-methoxycoumarin; W-3522; MEGxp0_001192; HY-N0342; NCGC00016349-06; Scopoletine; 7-hydroxy-6-methoxy-1-benzopyran-2-one; 006S872; OR22352; S-2000; NCGC00094973-01; EINECS 202-171-9; TNP00096; KS-00000YGS; Spectrum5_000654; Spectrum3_001532; TD8126; 2H-1-Benzopyran-2-one, 7-hydroxy-6-methoxy- (9CI); SPBio_000994; AKOS000277133; COUMARIN, 7-HYDROXY-6-METHOXY-; 2H-1-Benzopyran-2-one, 7-hydroxy-6-methoxy-; SMR000112541; BIDD:PXR0125; CCG-39140; Esculetin 6-methyl ether; D05QOR; 92-61-5; ALBB-023369; 7-hydroxy-6-methoxychromen-2-one; C01752; BIS1402; HMS1921N16; KB-249948; .beta.-Methylesculetin; NCGC00016349-01; Baogongteng B; 7-hydroxy-6-methoxy-chromen-2-one; KBio3_002444; NINDS_000720; 7-Hydroxy-5-methoxycoumarin; 7-hydroxy-6-methoxy-coumarin; Scopoletine; S2500_SIGMA; 7-hydroxy-6-methoxy-2H-chromen-2-one; CHEBI:17488; KBioGR_001348; SPBio_002884; Prestwick1_000962; NCGC00094973-01; 5-18-03-00203 (Beilstein Handbook Reference); EINECS 202-171-9; scopoletol; TNP00096; AIDS-014975; Gelseminic acid; DivK1c_000720; 6-O-Methylesculetin; Spectrum5_000654; Spectrum3_001532; 6-Methylesculetin; 2H-1-Benzopyran-2-one, 7-hydroxy-6-methoxy- (9CI); MEGxp0_001192; SPBio_000994; Scopoletin; 84792_FLUKA; IDI1_000720; COUMARIN, 7-HYDROXY-6-METHOXY-; 2H-1-Benzopyran-2-one, 7-hydroxy-6-methoxy-; ST056287; NCGC00094973-02; BRN 0156296; SPECTRUM1502242; Esculetin 6-methyl ether; BSPBio_002944; Chrysatropic acid; NCI60_003834; CAS-92-61-5; Prestwick3_000962; 7-hydroxy-6-methoxy-2-chromenone; Escopoletin; Spectrum2_001207; NCGC00094973-03; Murrayetin; 92-61-5; NSC405647; BSPBio_000963; NCGC00016349-02; KBio1_000720; 7-hydroxy-6-methoxychromen-2-one; Prestwick0_000962; 7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one; C01752; ZINC00057733; AIDS014975; Prestwick2_000962; Spectrum4_001054; beta-Methylesculetin; ACon1_000143; BPBio1_001061; CCRIS 3592; 6-Methoxyumbelliferone; 7-Hydroxy-6-methoxycoumarin; .beta.-Methylesculetin; NCGC00016349-01; NSC 405647; 6-Methoxy-7-hydroxycoumarin; Esculetin-6-methyl ether; 6-methoxy-7-hydroxycoumarin; 7- hydroxy- 6-methoxy- coumarin; 6-methoxy-7-hydroxy coumarin; Scopoletol | C10H8O4 | 192.17 g/mol | COC1=C(C=C2C(=C1)C=CC(=O)O2)O |
| TCMBANKIN061530 | scopolin | scopolin ; Scopolin; 6-METHOXY-7-{[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}-3,4-DIHYDRO-1-BENZOPYRAN-2-ONE;6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one; 7-(beta-D-glucopyranosoyloxy)-6-methoxy-2H-1-benzopyran-2-one; 6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-2-one; CHEBI:16065; 6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-coumarin; ZINC04082214; STOCK1N-54345; 6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-2-one; 6-methoxy-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2-chromenone;6-methoxy-2-oxo-2H-chromen-7-yl beta-D-glucopyranoside | C16H18O9 | 354.31 g/mol | COC1=C(C=C2C(=C1)C=CC(=O)O2)OC3C(C(C(C(O3)CO)O)O)O |
| TCMBANKIN061570 | curcumin | (1E,4Z,6E)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxy-phenyl)hepta-1,4,6-trien-3-one; C10443; BSPBio_003590; NCGC00095321-01; Curcumin; KBio3_003004; InChI=1/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-13,22,24-25H,1-2H3/b7-3+,8-4+,16-13; curcumin ; diferuloylmethane; 5-hydroxy-1,7-bis(4-hydroxy-3-methoxy-phenyl)hepta-1,4,6-trien-3-one; Kacha haldi; (1E,4Z,6E)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one; ZINC00899824; 458-37-7; SDCCGMLS-0066836.P001; SCHEMBL2622435; Spectrum3_001990; DivK1c_006683; KBio1_001627; SpecPlus_000587; SPBio_001728; Spectrum2_001714; 5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one; NSC32982; Turmeric oleoresin (79%-85% curcumin); Yellow Root; Halad; Diferaloylmethane; kachs haldi; safra d'inde; Curcumin, 95% (total curcuminoid content), from Turmeric rhizome; (1E,6E)-1,7-Bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione; GTPL7000; Turmeric, oleoresin; CI 75300; MFCD00008365; curcuma longa l. root oil hydrodistilled; DSSTox_CID_1421; NSC-687842; C21H20O6; Merita earth; NCGC00017159-11; 1,7-Bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione; NCGC00017159-06; I06-2497; BDBM50140172; I14-19358; MLS001148449; LS-125; NCGC00023332-04; SCHEMBL8441; 5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,4,6-heptatrien-3-one; BIDD:ER0479; 458-37-7; Turmeric root oil; Tox21_111505; BDBM50067040; 1790-EP2308861A1; Safran d'Inde; Turmeric oil (Curcuma longa L.); NSC 687842; Tumeric yellow; NCGC00017159-05; Curcuma oil; (1E,6E)-1,7-bis[4-hydroxy-3-(methyloxy)phenyl]hepta-1,6-diene-3,5-dione; 2,7-Nonadiene-4,6-dione, 1,9-bis(4-hydroxy-3-methoxyphenyl)-; EINECS 207-280-5; 15845-47-3; E 100; Curcuma longa l. oleoresin; Curcuma longa l. root oleoresin; SR-01000000149-2; NCGC00017159-10; D0H8LC; HMS3649K06; Turmeric oleoresin; Orange Root; Curcumin (Natural); Indian saffron; Curcumin, United States Pharmacopeia (USP) Reference Standard; NCGC00017159-07; CCG-36107; Curcumin solution, ~0.1 % (w/v) (in ethanol with 2M HCl (99:1 v/v)), for TLC derivatization; 5-Hydroxy-1,7-bis-(4-hydroxy-3-methoxy-phenyl)-hepta-1,4,6-trien-3-one; Curcurmin; 1,5-Di(vanillyliden)acetylaceton; I06-0010; Natural yellow 3; SMR000058237; cid_969516; Zlut prirodni 3; CHEMBL140; CAS-458-37-7; Curcumin, analytical standard; BG0601; ZX-AT003872; (1E,6E)-1,7-Bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione #; BCP9000557; Yellow puccoon; Tumeric oleoresin; DB11672; 1,9-Bis(4-hydroxy-3-methoxyphenyl)-2,7-nonadiene-4,6-dione; BG00706978; NSC687842; AC1LJ6T6; SCHEMBL8440; SR-01000000149; Tox21_201116; 1,7-Bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione; J10108; C.I. Natural Yellow 3; (1E,4Z,6E)-5-Hydroxy-1,7-bis-(4-hydroxy-3-methoxy-phenyl)-hepta-1,4,6-trien-3-one; Curcumin (synthetic); BIC8500; NCGC00017159-09; CCRIS 5804; NCGC00023332-05; (1E,6E)-1,7-Bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione; W-5038; 1,7-DI(4-HYDROXY-3-METHOXYPHENYL)HEPTA-1,6-DIENE-3; 1,7-Bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione, (E,E)-; FEMA No. 3086; 1790-EP2305629A1; BB_NC-01422; BC678109; 1,6-Heptadiene-3,5-dione, 1,7-bis(4-hydroxy-3-methoxyphenyl)-, (E,E)-; WLN: 1OR BQ E1U1V1V1U1R DQ CO1; Yellow Ginger; Diferuloylmethane; BRN 2306965; Bio-0677; AC1Q46A0; 98% curcurmin); cid_5281767; ZINC899824; Oils, galangal; 33171-04-9; (1E,6E)-1,7-bis(3-methoxy-4-oxidanyl-phenyl)hepta-1,6-diene-3,5-dione; curcuma longa l. root oil CO2 extract; Gelbwurz; OR24598; Oil of turmeric; Curcuma oil (Curcuma longa); MLS000069631; 1,5-Divanillyliden-2,4-pentandion; BDBM29532; 1,7-bis(4-hydroxy-3-methoxyphenyl)1,6-heptadiene-3,5-dione; UNII-IT942ZTH98; Yellow, Turmeric; BCP0726000035; Tox21_110803; KB-251224; CU-01000001305-2; Turmeric oil; HMS2233K04; D07SDQ; ST055629; Curcumin, primary pharmaceutical reference standard; CCG-36020; BRD-K07572174-001-19-6; MolPort-001-763-682; DSSTox_GSID_31077; DSSTox_RID_78861; Turmeric; 1,6-Heptadiene-3,5-dione, 1,7-bis(4-hydroxy-3-methoxyphenyl)-; NSC-32982; Kacha haldi; HY-N0005; Kurkumin [Czech]; Haldar; PREVENTION 4 (CURCUMIN) (SEE ALSO TUMERIC, OLEORESIN (10105-J)); (1Z,6E)-1,7-Bis-(4-hydroxy-3-methoxy-phenyl)-hepta-1,6-diene-3,5-dione; Turmeric (>98% curcurmin); GP8291; M212; Zlut prirodni 3 [Czech]; VFLDPWHFBUODDF-FCXRPNKRSA-N; LS-2189; Turmeric yellow; Turmeric extract (Curcuma longa L.); Curcumin; 1,7-Bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione; TR-032605; Curcuma longa l. root oil; FEMA No. 3085; curouma; Tu rmeric root oil; Opera_ID_1627; AC-24238; 73729-23-4; Halud; 1,7-Bis-(4-hydroxy-3-methoxy-phenyl)-hepta-1,6-diene-3,5-dione; RTR-032605; Yo-Kin; NCGC00023332-03; trans,trans-Curcumin; Curcuma longa l. oil; 1,6-Heptadiene-3,5-dione, 1,7-bis(4-hydroxy-3-methoxyphenyl)-, (1E,6E)-; IT942ZTH98; (E,E)-1,7-bis(4-Hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione; diferuloylmethan; cMAP_000052; N1839; 1,7-bis-(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione; BG01656528; Curcuma; CCRIS 3257; Diferulylmethane; Curcumin, >=94% (curcuminoid content), >=80% (Curcumin); NCGC00017159-04; SC-17381; BRD-K07572174-001-22-0; turmeric root oil hydrodistilled; Oils, curcuma; 458C377; Hydrastis; AK316302; Haldar, Souchet; Natural Yellow3; 4-08-00-03697 (Beilstein Handbook Reference); E 100 (Dye); 1,5-dione, 1,7-bis(4-hydroxy-3-methoxyphenyl)-; CS-1490; Indian turmeric; (1E,6E)-1,7-Bis-(4-hydroxy-3-methoxy-phenyl)-hepta-1,6-diene-3,5-dione; ((E,E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione); Kurkumin; Curcumin I; Souchet; (1E,6E)-1,7-bis(4-hydroxy-3-methoxy-phenyl)hepta-1,6-diene-3,5-dione; HSDB 4334; Haidr; NCI-C61325; BBL027711; Golden seal; SCHEMBL13521974; CC0179; 1,3-Di(3-methoxy-4-hydroxystyryl)propanedial; Terra Merita; NCGC00258668-01; SBB006495; Curcumin, matrix substance for MALDI-MS, >=99.5% (HPLC); STL371943; AN-23454; CURCUMIN (SEE ALSO TUMERIC, OLEORESIN (10105-J)); 8024-37-1; Curcuma longa oils; 91884-86-5; AKOS001305497; BRD-K07572174-001-02-2; Turmeric extract; TURMERIC, OLEORESIN (CURCUMIN) (SEE ALSO CURCURMIN (458-37-7)); CI Natural Yellow 3; Cucurmin; CHEBI:3962; DTXSID8031077; DB-002681; Curcumine; Turmeric root oleoresin; curcumin; turmeric root oil CO2 extract; Curcumin, from Curcuma longa (Turmeric), powder; NCGC00017159-12; 79257-48-0; C.I. 75300; 1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadien-3,5-dione; NSC 32982; SR-01000000149-5, curcumine;curcumin | IC21H20O6 | 368.4 g/mol | COC1=C(C=CC(=C1)C=CC(=O)CC(=O)C=CC2=CC(=C(C=C2)O)OC)O |
| TCMBANKIN061577 | FER | Ferulate; Coniferic acid; Cinnamic acid, 4-hydroxy-3-methoxy- (8CI); KBio1_001587; Spectrum5_000554; SDCCGMLS-0066667.P001; NCGC00094889-02; AIDS017864; 3-methoxy-4-hydroxy-trans-cinnamic acid; CCRIS 3256; trans-4-Hydroxy-3-methoxycinnamic acid; 97274-61-8; (E)-4'-Hydroxy-3'-methoxycinnamic acid; Cinnamic acid, 4-hydroxy-3-methoxy-, (E)-; SBB000326; Cinnamic acid, 4-hydroxy-3-methoxy-; NCGC00094889-03; InChI=1/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13; 3-(4-Hydroxy-3-methoxyphenyl)acrylic acid; SMR000112202; 4-Hydroxy-3-methoxycinnamic acid; 3-Methoxy-4-hydroxy-trans-cinnamate; Ferulic acid, trans-; 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid; Spectrum2_001394; KBio3_002388; 4-Hydroxy-3-methoxy cinnammic acid; 1135-24-6; CHEBI:17620; transferulic acid NCGC00094889-01; EINECS 208-679-7; Spectrum3_001434; NCI60_002312; NSC51986; Ferulic acid dehydrogenation homopolymer; EINECS 214-490-0; CCRIS 7575; KBio2_006872; KBio2_004304; FERULOATE; 537-98-4; Spectrum_001256; caffeic acid 3-methyl ether; 128708_ALDRICH; Cinnamic acid, 4-hydroxy-3-methoxy-, trans-; NSC 674320; 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, (E)- (9CI); MLS001066385; 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-; BSPBio_003168; NSC2821; SPBio_001408; 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, (E)-; 46278_FLUKA; (E)-Ferulic acid; (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoic acid; 3-methoxy-4-hydroxycinnamic acid; FERULIC-ACID; SpecPlus_000547; KBioSS_001736; AIDS-017864; Spectrum4_001897; (E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid; 3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid homopolymer; SPECTRUM1501017; FERULIC ACID (TRANS); 3-(4-hydroxy-3-methoxy-phenyl)acrylic acid; (E)-3-(4-hydroxy-3-methoxy-phenyl)acrylic acid; (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid; DivK1c_006643; C01494; KBioGR_002459; 3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid; NSC 51986; 3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoic acid; ferulic acid; KBio2_001736; CINNAMIC ACID,4-HYDROXY,3-METHOXY FERULIC ACID; NSC 2821; W518301_ALDRICH; (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid; Trans-ferulic acid; 3-methoxy-4-hydroxycinnamic acid | C10H10O4 | 194.18 g/mol | COC1=C(C=CC(=C1)C=CC(=O)O)O |
| TCMBANKIN061698 | Dictamine | Spectrum3_000101; SPECTRUM100541; C10660; Furo(2,3-b)quinoline, 4-methoxy-; dictamnine; Furo[2,3-b]quinoline, 4-methoxy-; KBio2_006213; NCGC00095429-01; SDCCGMLS-0066336.P001; Dictamnine; CCRIS 1583; Spectrum2_000349; Oprea1_294767; KBio3_000802; 484-29-7; Spectrum4_001383; dictamine ; Oprea1_134081; DivK1c_006140; SPBio_000417; SpecPlus_000044; 4-methoxyfuro[2,3-b]quinoline; Spectrum_000597; KBio2_003645; KBioSS_001077; BSPBio_001682; KBio2_001077; dictamine; KBioGR_001706; KBio1_001084; Spectrum5_000086; 4-27-00-02030 (Beilstein Handbook Reference); BRN 0176932;Spectrum3_000101; SPECTRUM100541; AC1L2901; LS-70926; C10660; Furo(2,3-b)quinoline, 4-methoxy-; DTXSID0041012; Furo[2,3-b]quinoline, 4-methoxy-; MCULE-6817939774; MolPort-003-665-620; C12H9NO2; AM-331/20711025; KBio2_006213; CTK4J0807; NCGC00095429-01; AKOS006274709; SDCCGMLS-0066336.P001; Dictamnine; Furo[2,3-b]quinoline,4-methoxy-; NCGC00095429-02; CCRIS 1583; FT-0686595; Spectrum2_000349; Oprea1_294767; V0176; KBio3_000802; 4-Methoxyfuro[2,3-b]quinoline #; 484-29-7; Spectrum4_001383; BRD-K29178788-001-01-2; 4-Methoxyfuro[2,3-b]quinoline; CCG-38624; Oprea1_134081; DivK1c_006140; SR-05000002442; Q-100537; WIONIXOBNMDJFJ-UHFFFAOYSA-N; SPBio_000417; SR-05000002442-1; SpecPlus_000044; CS-3267; Spectrum_000597; N2224; 484D297; CHEBI:4512; KBio2_003645; BSPBio_001682; KBioSS_001077; HQZ3798D0A; Diktaminin; SCHEMBL1760700; Dictamine; CHEMBL22533; VU0243862-3; HY-N0849; KBio2_001077; KBioGR_001706; UNII-HQZ3798D0A; HMS3561L11; AN-45222; 4-Methoxy-furo[2,3-b]quinoline; ZINC265517; AC1Q4FDA; KBio1_001084; Spectrum5_000086; 4-27-00-02030 (Beilstein Handbook Reference); BRN 0176932 | C12H9NO2 | 199.21 | COC1=C2C=COC2=NC3=CC=CC=C31 |
| TCMBANKIN061805 | myristicin; 1,3-Benzodioxole,4-methoxy-6-(2-propenyl)-; asaricin | 4-Methoxy-6-(2-propenyl)-1,3-benzodioxole; 04PD6CT78W; BNWJOHGLIBDBOB-UHFFFAOYSA-N; 4-methoxy-6-prop-2-enyl-1,3-benzodioxole; 1,3-Benzodioxole, 4-methoxy-6-(2-propenyl)-; V0156; STK693140; Myristicin, analytical standard; ZB013050; Myristicin from parsley leaf oil, >=85% (HPLC), oil; UNII-04PD6CT78W; CCG-208543; NCGC00257726-01; Myristicin; 4-Methoxy-6-[2-propenyl]-1,3-benzodioxole; C10480; FCH920323; 6-Allyl-4-methoxy-1,3-benzodioxole; Myristicine; Benzene, 5-allyl-1-methoxy-2,3-(methylenedioxy)-; HMS2270K14; SCHEMBL68041; BRN 0166218; NCGC00091427-03!4-methoxy-6-prop-2-enyl-1,3-benzodioxole; DSSTox_RID_77884; 1,3-Benzodioxole, 4-methoxy-6-(2-propenyl)- (9CI); SBB014760; CAS-607-91-0; 607M910; SR-01000838340-3; 1-Allyl-3-methoxy-4,5-methylenedioxybenzene; M9411_SIGMA; 6-allyl-4-methoxy-1,3-benzodioxol; 1-Methoxy-2,3-methylenedioxy-5-(2-propenyl)benzene; ZERO/009047; AKOS005604763; Myristicin (6CI); MFCD00133549; Myristicin from parsley leaf oil; LS-2163; DSSTox_CID_5693; MLS001065535; MCULE-6209105333; 607-91-0; 4-methoxy-6-(prop-2-en-1-yl)-1,3-benzodioxole; CHEBI:68234; DSSTox_GSID_25693; CCRIS 6782; Tox21_200172; 5-Allyl-2,3-(methylendioxy)anisole; 4-methoxy-6-prop-2-enyl-2H-benzo[d]1,3-dioxolene; 4-Methoxy-6-(2-propenyl)-1,3-benzodioxole, 9CI; ST097616; 3-methoxy,4,5-methylenedioxy-allylbenzene; EINECS 210-146-9; 5-Allyl-1-methoxy-2,3-(methylenedioxy)-Benzene; NCGC00091427-02; MolPort-003-925-569; 4-methoxy-6-(prop-2-en-1-yl)-2H-1,3-benzodioxole; CHEMBL481044; SC-21462; SMR000112534; API0025964; CTK5J3915; HSDB 3516; AC1L1HSS; AN-46392; ZINC403089; DTXSID1025693; FT-0672575; 5-19-02-00631 (Beilstein Handbook Reference); 09237_FLUKA; 5-Allyl-1-methoxy-2,3-(methylenedioxy)benzene; SR-01000838340; NCGC00091427-01; myristicin; 1-allyl-3,4-methylenedioxy-5-methoxybenzene | C11H12O3 | 192.21 g/mol | COC1=CC(=CC2=C1OCO2)CC=C |
| 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 |
| TCMBANKIN061868 | o-methoxy phenol | 2-methoxyphenol;guaiacol;Guasol;Catechol mono methyl ether; DSSTox_RID_77552; SMR000059155; ANW-13634; Anastil; WLN: QR BO1; 2-Methoxyphenol; Catechol monomethyl ether; Pyrocatechol monomethyl ether; CHEMBL13766; SCHEMBL21626; AI3-05615; DB-024854; 6JKA7MAH9C; Guajacol; Guaiacol (2-Methoxyphenol); 2-Methoxyphenol, 98% 250g; 2-methoxyphenol;; Methyl Catechol; CAS-90-05-1; Guaiacol, Pharmaceutical Secondary Standard; Certified Reference Material; HMS3372N11; Guaiacol [JAN:NF]; 2-Methoxy-Phenol; 3-hydroxy-2-methoxyphenyl; 2-methoxy phenol; SBB058681; a hydroxlyated aryl lignin fragment; NCGC00090827-06; Guaiacol, Vetec(TM) reagent grade, 98%; UNII-6JKA7MAH9C; D00117; 26638-03-9; 7519-EP2295426A1; 7519-EP2316470A2; Guaicol; Guaiacol, oxidation indicator; guaiacol; Creosote (wood); guiacol; SR-01000838056-3; 2-Hydroxyanisole; Creosote, beechwood; DTXSID0023113; 7519-EP2308857A1; CCRIS 6004; o-Hydroxyanisole; AJ-63992; ZINC13512224; SR-01000838056-2; EINECS 232-419-1; RCRA waste number U051; 7519-EP2305636A1; C01502; Beechwood creosote; 2-(methyloxy)phenol; 196981-EP2371803A1; SC-18105; A843426; HMS2233P04; LHGVFZTZFXWLCP-UHFFFAOYSA-N; Guaiacol, natural, >=99%, FG; HMS2089D18; AB00876226_07; Tox21_202990; MFCD00002185; Guaiastil; guaiacol (liquid) extra pure; bmse000436; NCGC00090827-03; CREOSOTE, WOOD; orthomethoxyphenol; AB00876226-06; 7519-EP2305683A1; 2-Methoxyphenol, Catechol monomethyl ether, Pyrocatechol monomethyl ether; NSC3815; Guaiacol [JAN]; methoxy phenol; AK114448; 6-methoxyphenol; Guajakol [Czech]; NCGC00090827-02; ST2410094; FEMA No. 2532; EC 201-964-7; CS-D1347; Methylcatachol; Guaiacol, SAJ first grade, >=98.0%; Creosote [JAN]; 7519-EP2308861A1; JZ3; STL281868; InChI=1/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H; o-Guiacol; HSDB 1979; NCGC00090827-01; SR-01000838056; M0121; 7519-EP2316832A1; DSSTox_CID_3113; o-methoxy-Phenol; Guaiacol (natural); Tox21_400004; Guaiacol, European Pharmacopoeia (EP) Reference Standard; ortho-Guaiacol; Guajakol; Phenol, 2-methoxy-; PS-3252; Guaicolina; ACMC-209784; EBD2205193; NSC-760376; Pyrocatechol monomethyl ether; 7519-EP2314584A1; D02JUW; NSC760376; C15572; AN-17339; 7519-EP2311839A1; Phenol, o-methoxy-; Wood creosote; 2-Methoxyphenol; Creosote; Tox21_111031; 7519-EP2314589A1; AB1001888; ortho-methoxyphenol; CCG-214035; bmse010027; Creosote (wood tar); AC1Q46B5; I01-6054; 1-Hydroxy-2-methoxybenzene; o--methoxyphenol; TR-028311; LS-1906; NCGC00090827-07; 7519-EP2316837A1; 7519-EP2316833A1; EINECS 201-964-7; BDBM50240369; 196981-EP2269977A2; KS-00000KSX; 1990/5/1; Guajol; AC1L19AA; ST50214385; 7519-EP2295427A1; o-Guaiacol; CAS-8021-39-4; Guasol; HSDB 4241; MLS001055375; NCGC00090827-04; 8021-39-4; RTR-028311; ghl.PD_Mitscher_leg0.900; DSSTox_RID_76880; Pyroguaiac acid; MolPort-000-871-969; NCGC00090827-05; UNII-3JYG22FD73; Beechwood creosote (Fagus spp.); Creodon (TN); Pharmakon1600-01506165; Hydroxyanisole; Nat.Guaiacol; F2173-0425; 2-methoxyl-4-vinylphenol; O-Methyl catechol; o-Methoxyphenol; Creodon; CTK1A4914; KB-30331; Guaiacol (JAN); NCGC00258688-01; Pyrocatechol methyl ester; DB11359; 7519-EP2311821A1; Methylcatechol; AKOS000118831; Guaiacol, puriss., 99%; 3JYG22FD73; NSC 3815; NCGC00260535-01; Catechol monomethyl ether; STR03604; Guaiacol, United States Pharmacopeia (USP) Reference Standard; HMS3715E11; 1- hydroxy-2-methoxybenzene; KSC204S1J; 7519-EP2292227A2; DSSTox_GSID_24853; 196981-EP2377843A1; FT-0626815; NSC-3815; MCULE-5627336368; Q-100002; CCRIS 2943; 2-methoxyphenol (guaiacol); CHEBI:28591; DSSTox_GSID_23113; Phenol, methoxy-; Tox21_201136;HSDB 4241; 90-05-1; Anastil; 8021-39-4; Guaicolina; ZINC00001521; WLN: QR BO1; ghl.PD_Mitscher_leg0.900; Pyrocatechol monomethyl ether; 50880_FLUKA; AI3-05615; Pyroguaiac acid; Guaiastil; Methoxyphenol; AIDS-107096; NCGC00090827-03; CREOSOTE, WOOD; Guajacol; Creodon (TN); NSC3815; Guaiacol [JAN]; C15572; Creodon; o-Methoxyphenol; 2-Methoxyphenol; Guajakol [Czech]; O-Methyl catechol; Phenol, o-methoxy-; NCGC00090827-02; Guaiacol (JAN); W253200_ALDRICH; D00117; FEMA No. 2532; Pyrocatechol methyl ester; Methylcatechol; 26638-03-9; Guaicol; CPD-400; NSC 3815; InChI=1/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H; guaiacol; NCGC00090827-01; Catechol monomethyl ether; G5502_SIGMA; ST5214385; 1-Hydroxy-2-methoxybenzene; 2-Hydroxyanisole; AIDS107096; o-Hydroxyanisole; Guaiacol (natural); EINECS 201-964-7; Phenol, 2-methoxy-; Guajol; CCRIS 2943; C01502; o-Guaiacol; CHEBI:28591; Phenol, methoxy- | C7H8O2 | 124.14 g/mol | COC1=CC=CC=C1O |
| TCMBANKIN061923 | crinamine | CHEMBL1221865; Crinamine; ZINC8652224; (+)-crinamine | C17H19NO4 | 301.34 g/mol | COC1CC2C3(C=C1)C(CN2CC4=CC5=C(C=C34)OCO5)O |
| TCMBANKIN061936 | dimethyl sulfone | RL04588; AC1L1M1F; CHEBI:9349; C2H6O2S; M1239; NSC63345; 74380-EP2371800A1; Dimethyl sulfone, 98%; MolPort-003-666-648; Dimethyl sulfone, Standard for quantitative NMR, TraceCERT(R); InChI=1/C2H6O2S/c1-5(2,3)4/h1-2H; ACMC-209o0h; Sulfonylbis-methane; KSC352Q8H; Methane, sulfonylbis-; AN-23767; TR-022731; 54841-73-5; Sulfone, dimethyl-; CJ-12200; BDBM50026473; NCGC00357027-01; sulfonyldimethane; ANW-35391; Methylsulfonylmethane, United States Pharmacopeia (USP) Reference Standard; DMSO2; 90984-EP2305248A1; UNII-9H4PO4Z4FT; TL8004770; 9H4PO4Z4FT; FT-0625160; NSC 63345; KB-50116; DSSTox_GSID_43937; Methylsulfonyl methane; MolMap_000019; I09-1058; A835859; SPECTRUM1505358; DB-050533; methy sulfone; 74380-EP2270002A1; HHVIBTZHLRERCL-UHFFFAOYSA-N; CAS-67-71-0; NE10495; Methylsulfonylmethane; C11142; RTR-022731; Sulfonylbismethane; EN300-79559; TRA0007185; AKOS015897615; 2-Thiapropane2,2-dioxide; Methyl sulfone; LS-90358; 90984-EP2280012A2; METHYL SULFONYL METHANE; M0509; CTK2F2883; Dimethyl sulfone; dimethylsulphone; Ambap67-71-0; 74380-EP2371798A1; Z417007936; 74380-EP2371797A1; ZINC4658606; MFCD00007566; Dimethyl sulphone; 162163-EP2281815A1; 74380-EP2269993A1; KS-00000V5O; CCG-214558; MCULE-3320409932; 74380-EP2308857A1; DSSTox_CID_23937; AI3-25306; EINECS 200-665-9; 74380-EP2371804A1; METHANESULFONYLMETHANE; methyl sulfonmethane; Opti MSM; NCGC00095990-01; CCRIS 2938; DIMETHYLSULFONE; CHEMBL25028; 67-71-0; Sulphonylbismethane; F0001-1776; (methylsulphonyl)methane; NSC-63345; DTXSID4043937; Tox21_303712; (methylsulfonyl)methane; Lignisul MSM; methylsulfone; dimethylsulfon; Methane, 1,1'-sulfonylbis-; Methylsulfonylmethane, Pharmaceutical Secondary Standard; Certified Reference Material;mesylmethane;Methylsulfonylmethane; sulfonyldimethane; CHEBI:9349; sulphonylbismethane; C11142; NSC63345; Sulfonylbismethane; NSC 63345; InChI=1/C2H6O2S/c1-5(2,3)4/h1-2H; M81705_ALDRICH; Methylsulfonyl methane; Methyl sulfone; AI3-25306; EINECS 200-665-9; MolMap_000019; NCGC00095990-01; 41631_FLUKA; CCRIS 2938; DIMETHYLSULFONE; Methane, sulfonylbis-; SPECTRUM1505358; 67-71-0; 54841-73-5; Dimethyl sulfone; ZINC04658606; Methyl sulfone (8CI); Dimethyl sulphone | C2H6O2S | 94.14 g/mol | CS(=O)(=O)C |
植物对应的疾病
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植物对应的靶点
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