Plant Summary
Plant Information
TCMBank_ID: | TCMBANKHE005522 |
YEM_ID: | YEM-745 |
XU_ID: | XU-411 |
ID: | TCMBANKHE005522/YEM-745/XU-411 |
植物拉丁名: |
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功能与主治: | 1. To clear heat and reduce fire; 2. To cool blood and release toxins; 3. To eliminate dampness/Acute icterohepatitis, febrile diseases, vexation, melancholia, restlessness, stagnation of damp-heat in liver and gall, fever, jaundice, short voidings of reddish urine, blood ejection, spontaneous external bleeding, dysentery with hematochezia and hematuria. |
药用植物名: | 栀子 |
药名: | 栀子 |
来源: | 云南民族药物志：第四卷|广东省廉江市石岭镇 |
药用部位: | ripe fruit|枝叶 |
使用民族: | 阿昌族/布依族/傣族/德昂族/景颇族/傈僳族/苗族/水族/瑶族/彝族/壮族 |
药味: | Cold; Bitter |
经络: | Lung; Stomach; Liver; Heart |
临床特征: | 1. The active components such as crocin, crocetin, genipin, or alcoholic extract protect the liver from carbon tetrachloride and increasing biliary secretion. Oral use of its decoction induce gallbladder contraction.2. Oral or intraperitoneal use of its d |
治疗类型: | 清热泻火药 |
KUMST_ID1: | KMUST-BS-0423 |
KUMST_ID2: | KMUST-2023121500068-1，-2 |
TCM_ID_id: | 2221 |
SymMap_id: | 483 |
TCMSP_id: | 875 |
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Ellis|Gardenia jasminoides2.jpg)
Ellis|Gardenia jasminoides3.jpg)
Ellis|Gardenia jasminoides4.jpg)
Ellis|Gardenia jasminoides5.jpg)
植物对应的化合物
| 化合物ID | 化合物名 | 别名 | 分子式 | 分子质量 | Smiles |
|---|
| TCMBANKIN000094 | choline | Choline chloride; choline hydroxide | C5H14NO+ | 104.17 g/mol | C[N+](C)(C)CCO |
| TCMBANKIN000100 | lauric acid | NCGC00090919-01; CHEBI:30805; n-Dodecanoic acid; Hydrofol acid 1255; Wecoline 1295; Neo-Fat 12-43; 8045-27-0; WLN: QV11; AI3-00112; AIDS-049202; 61609_FLUKA; Dodecylcarboxylate; DAO; EINECS 205-582-1; L-ALFA-LYSOPHOSPHATIDYLCHOLINE, LAUROYL; CCRIS 669; W261408_ALDRICH; lauric acid ; 8000-62-2; DODECANOIC ACID (LAURIC ACID); C-1297; 7632-48-6; ST023796; NSC5026; Laurinsaeure; C02679; [2-((1-OXODODECANOXY-(2-HYDROXY-3-PROPANYL))-PHOSPHONATE-OXY)-ETHYL]-TRIMETHYLAMMONIUM; Dodecoic acid; Laurostearic acid; NCGC00090919-02; 4-02-00-01082 (Beilstein Handbook Reference); lauricacid; Ninol AA62 extra; InChI=1/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14; Lauric acid (natural); Aliphat No. 4; NSC-5026; Coconut oil fatty acids; Lauric acid, pure; 203714-07-2; NCIOpen2_009480; CH3-[CH2]10-COOH; Dodecylic acid; Neo-Fat 12; AIDS049202; C12 fatty acid; HSDB 6814; Dodecanoic acid; L556_ALDRICH; Lauric acid; LAP; Univol U-314; FEMA No. 2614; 1-Undecanecarboxylic acid; Vulvic acid; 143-07-7; BRN 1099477; Duodecylic acid; LAU; W261416_ALDRICH; LMFA01010012; L4250_SIGMA; Hydrofol acid 1295 | C12H24O2 | 200.32 | CCCCCCCCCCCC(=O)O |
| TCMBANKIN000558 | gardenicacid B | ||||
| TCMBANKIN000698 | 3,4-dihydroxyphenylpropanolβ-d-glucopyrano-side | C15H22O8 | |||
| TCMBANKIN000704 | ilexoside A_qt | C35H56O8 | 604.81 | ||
| TCMBANKIN001324 | β-D-xylopyranosyl-(1 →6')-O-β-D-glucopyranoside(9 ), β-D-galacopy-ranosyl-(1 → 6')-O-β-D-glucopyranoside | ||||
| TCMBANKIN001349 | C09704 | ZINC01531550; 1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, (3S,6E)-; EINECS 214-276-7; (3S)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol; (S-(E))-3,7,11-Trimethyldodeca-1,6,10-trien-3-ol; (3S,6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol; 1119-38-6; LMPR01030037 | C15H26O | 222.37 | CC(=CCCC(=CCCC(C)(C=C)O)C)C |
| TCMBANKIN001799 | Scandoside methyl ester | (1S,4aS,5R,7aS)-5-hydroxy-7-(hydroxymethyl)-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylic acid methyl ester; C09798; scandoside methyl ester; (1S,4aS,5R,7aS)-5-hydroxy-7-methylol-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylic acid methyl ester; 27530-67-2; methyl (1S,4aS,5R,7aS)-5-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylate; 7-(Hydroxymethyl)-1-(beta-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-5beta-hydroxycyclopenta[c]pyran-4-carboxylic acid methyl ester; methyl (1S,4aS,5R,7aS)-5-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylate | C17H24O11 | 404.37 | COC(=O)C1=COC(C2C1C(C=C2CO)O)OC3C(C(C(C(O3)CO)O)O)O |
| TCMBANKIN003644 | 2,6-Dimethyl-l, 4-benzoquinone | ||||
| TCMBANKIN003752 | phenylmethol | ||||
| TCMBANKIN004160 | 6-o-methyldeacetylasperulosidicacid methylester | 6-O-methyldeacetylasperulosidic acid methyl ester | COC1C=C(C2C1C(=COC2OC3C(C(C(C(O3)CO)O)O)O)C(=O)OC)CO | ||
| TCMBANKIN005202 | croomionidine | (8S,10R,13S)-17-[(1S)-1-(dimethylamino)ethyl]-N,10,13-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine; AC1NSTX4 | C24H42N2 | 358.6 g/mol | CC(C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)NC)C)C)N(C)C |
| TCMBANKIN005531 | 5,7,3'-trihydroxy-2'-(3-methylbut-2-enyl)-4',5'-(3,3-dimethylpyrano)isoflavone | C25H24O6 | CC(=CCC1=C(C2=C(C=CC(O2)(C)C)C=C1C3=COC4=CC(=CC(=C4C3=O)O)O)O)C | ||
| TCMBANKIN005952 | geniposidie acid_qt | Genioisidic acid_qt; geniposidic acid_qt; geniposidic,acid_qt | C16H22O10 | 374.34 | |
| TCMBANKIN006330 | jasminoside Ⅰ | C26H30O13 | COC(=O)CC1C(=COC(C1=CCOC(=O)C=CC2=CC=CC=C2)OC3C(C(C(C(O3)CO)O)O)O)C(=O)O | ||
| TCMBANKIN007085 | 3-methoxy-4-hydroxyphenol | C16H13N3O5 | COC1=NC(=C2C=CC(=O)C=C2O)NC(=C3C=CC(=O)C=C3O)N1 | ||
| TCMBANKIN007680 | 5,7,4'-trihydroxyl-8-methoxyflavone | ||||
| TCMBANKIN008084 | Daturic acid | 67701-03-5; daturicacid; n-Heptadecylic acid; EINECS 266-928-5; 51610_FLUKA; 67255-22-5; 68424-37-3; NSC3743; (C16-C18)Alkylcarboxylic acid; WLN: QV16; NSC 3743; SDA 19-005-00; 8043-36-5; CH3-[CH2]15-COOH; EINECS 264-123-3; 506-12-7; LMFA01010017; AI3-36481; EINECS 208-027-1; Lead(2+) heptadecanoate; 37231-04-2; Margaric acid; 45237-52-3; n-Heptadecanoic acid; 7722-21-6; 63399-94-0; Heptadecylic acid; n-Heptadecoic acid; 39390-60-8; heptadecoic acid; 8000-11-1; (C16-C18) Alkylcarboxylic acid; daturic acid; C14-C22 Fatty acid residue; Heptadecanoic acid; Margarinsaeure; 8034-57-9; CHEBI:32365; Fatty acids, C14-22; 28829-31-4; 8034-58-0; 1338-46-1; 52051-63-5; EINECS 270-298-7; 8034-56-8; 4-02-00-01193 (Beilstein Handbook Reference); Fatty acids, C16-18; BRN 1781004; 176435-16-8; 45237-51-2; H3500_SIGMA; Margarinic acid | C17H34O2Pb | 478 g/mol | CCCCCCCCCCCCCCCCC(=O)O.[Pb] |
| TCMBANKIN008982 | 6″-O-trans-sinapoylgenipin gentiobioside | C34H48O11 | CC1C(C(C(OC1COC2C(C(C(C(O2)CO)O)O)O)OC(=O)C(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=O)C)C)O)C | ||
| TCMBANKIN009244 | 13657-68-6 | Cyclodecene-1,4-dione, 6,10-dimethyl-3-(1-methylethyl)-, (3S-(3R*,6E,10R*))-; (3S,6E,10S)-3-isopropyl-6,10-dimethyl-cyclodec-6-ene-1,4-dione; (3S,6E,10S)-6,10-dimethyl-3-propan-2-ylcyclodec-6-ene-1,4-dione; (3S,6E,10S)-3-isopropyl-6,10-dimethylcyclodec-6-ene-1,4-dione; 6-Cyclodecene-1,4-dione, 6,10-dimethyl-3-(1-methylethyl)-, (3S-(3R*,6E,10R*))- (9CI); Germacr-1(10)-ene-5,8-dione; (3S,6E,10S)-6,10-dimethyl-3-propan-2-yl-cyclodec-6-ene-1,4-dione; (3S,6E,10S)-3-isopropyl-6,10-dimethyl-cyclodec-6-ene-1,4-quinone | C15H24O2 | 236.35 | CC1CCC=C(CC(=O)C(CC1=O)C(C)C)C |
| TCMBANKIN009428 | Sudan III | C22H16N4O | 352.39 | C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N=NC3=C(C=CC4=CC=CC=C43)O | |
| TCMBANKIN009567 | (3S,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-3-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid | C48H76O20 | 973.1 | ||
| TCMBANKIN009829 | gardaloside | C16H22O9 | 358.34 g/mol | C=C1C(CC2C1C(OC=C2C=O)OC3C(C(C(C(O3)CO)O)O)O)O | |
| TCMBANKIN010299 | 1- hydroxy- 7- hydroxymethyl- 1,4a,5,7a- tetrahydrocyclopenta［c］pyran- 4- carb Aldehyde | C16H24O9 | CC1(CCC2C1C(OC=C2C=O)OC3C(C(C(C(O3)CO)O)O)O)O | ||
| TCMBANKIN010415 | (e,e,e)-n-(2-methylpropyl)-hexadeca-2,6,8-trien-10-ynamide | (e, e, e)-n-(2-methylpropyl)-hexadeca-2,6,8-trien-10-ynamide | C20H31NO | 301.5 g/mol | CCCCCC#CC=CC=CCCC=CC(=O)NCC(C)C |
| TCMBANKIN010448 | shanzhiside methyl ester_qt | 244.27 | |||
| TCMBANKIN010648 | 6'-O-cinnamoylharpagirle | 492.57 | |||
| TCMBANKIN011445 | beryllium | Be | 9.012183 g/mol | [Be] | |
| TCMBANKIN011659 | 3-hydroxy-vanillic acid | C8H10O5 | 186.16 g/mol | COC1(CC(=CC=C1O)C(=O)O)O | |
| TCMBANKIN011934 | epijasminoside A | C16H26O7 | 330.37 g/mol | CC1=CC(=O)CC(C1COC2C(C(C(C(O2)CO)O)O)O)(C)C | |
| TCMBANKIN013032 | (1R,2R,4S)-2,4-diisopropenyl-1-methyl-1-vinylcyclohexane | (1R,2R,4S)-2,4-diisopropenyl-1-methyl-1-vinyl-cyclohexane; (1R,2R,4S)-1-ethenyl-1-methyl-2,4-di(prop-1-en-2-yl)cyclohexane | C15H24 | 204.35 | |
| TCMBANKIN013179 | 5,3'-dipent-4-enoyloxy-3,6,7,4'-tetramethoxy-flavone | C29H30O10 | COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)OC(=O)CCC=C)OC)OC(=O)CCC=C | ||
| TCMBANKIN013493 | deacetyl asperuloside acid_qt | Deacetyl asperulosidic acid methyl ester_qt | 242.25 | ||
| TCMBANKIN013517 | shihunidine | ACMC-20cshx; 1'-METHYL-2H-SPIRO[ISOINDOLE-1,2'-PYRROLIDINE]-3-ONE; Shihunidine; 1'-methylspiro[2H-isoindole-3,2'-pyrrolidine]-1-one; Spiro[1H-isoindole-1,2'-pyrrolidin]-3(2H)-one,1'-methyl- (9CI); AC1Q6JBV; CTK4B9906; Spiro(1H-isoindole-1,2'-pyrrolidin)-3(2H)-one, 1'-methyl-; 135626-84-5; 1'-methylspiro[isoindole-1,2'-pyrrolidin]-3(2h)-one; AC1L50MV | C12H14N2O | 202.25 g/mol | CN1CCCC12C3=CC=CC=C3C(=O)N2 |
| TCMBANKIN013601 | gardoside methyl ester | C17H24O10 | 388.4 g/mol | COC(=O)C1=COC(C2C1CC(C2=C)O)OC3C(C(C(C(O3)CO)O)O)O | |
| TCMBANKIN014514 | 4′-hydroxyphyllaemblicin B | 760.77 | |||
| TCMBANKIN015057 | 3-hydroxypipecolic acid | C6H11NO3 | 145.16 g/mol | C1CC(C(NC1)C(=O)O)O | |
| TCMBANKIN015391 | gardoside | C16963; 54835-76-6; Gardoside; CHEBI:80827; CHEMBL3622810 | C16H22O10 | 374.34 g/mol | C=C1C(CC2C1C(OC=C2C(=O)O)OC3C(C(C(C(O3)CO)O)O)O)O |
| TCMBANKIN015411 | 8-hydroxy-pentadecanoic diacid | ||||
| TCMBANKIN015542 | SHANZHISIDE_qt | 230.24 | |||
| TCMBANKIN015977 | Chlorogenin | (25R)-5alpha-spirostan-3beta,6alpha-diol; chlorogenin; LMST01080086 | C27H44O4 | 432.64 | CCC1C(CC2C1(CCC3C2CC(C4C3(CCC(C4)O)C)O)C)OC5(CCC(CO5)C)C |
| TCMBANKIN016066 | glucoiberin | beta-D-Glucopyranose, 1-thio-, 1-(4-(methylsulfinyl)-N-(sulfooxy)butanimidate); 554-88-1; Glucoiberin | C11H21NO10S3 | 423.5 g/mol | CS(=O)CCCC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O |
| TCMBANKIN017396 | scandoside_qt | scandoside methyl ester_qt; Scandoside_qt; Scandoside methyl ester_qt; DEACETYLASPERULOSIDICACID_qt | C16H22O11 | 390.34 | |
| TCMBANKIN017873 | 3-methoxyosmanthuside H | ||||
| TCMBANKIN017936 | 7-hydroxy-5-methoxy-chromone | C10H8O4 | 192.17 g/mol | COC1=CC(=CC2=C1C(=O)C=CO2)O | |
| TCMBANKIN018594 | dicaffeoylquinic acid | C25H24O12 | 516.4 g/mol | C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O | |
| TCMBANKIN019023 | dihydrotricin | C17H16O7 | 332.3 g/mol | COC1=CC(=CC(=C1O)OC)C2CC(=O)C3=C(C=C(C=C3O2)O)O | |
| TCMBANKIN020047 | 5,7-dihydroxyl-6,8,4′-trimethoxylflavone | ||||
| TCMBANKIN020556 | methyl (1S,4aS,5R,7S,7aS)-5,7-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[d]pyran-4-carboxylate | ACon1_000460; (1S,4aS,5R,7S,7aS)-5,7-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[d]pyran-4-carboxylic acid methyl ester; (1S,4aS,5R,7S,7aS)-5,7-dihydroxy-7-methyl-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4a,5,6,7a-tetrahydro-1H-cyclopenta[d]pyran-4-carboxylic acid methyl ester; methyl (1S,4aS,5R,7S,7aS)-5,7-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[d]pyran-4-carboxylate; MEGxp0_000430; ACon0_000910 | C17H26O11 | 406.38 | CC1(CC(C2C1C(OC=C2C(=O)OC)OC3C(C(C(C(O3)CO)O)O)O)O)O |
| TCMBANKIN020662 | densispinin D | ||||
| TCMBANKIN020753 | jasminoside A | C16H26O7 | 330.37 g/mol | CC1=CC(=O)CC(C1COC2C(C(C(C(O2)CO)O)O)O)(C)C | |
| TCMBANKIN020808 | icariside D2 | C14H20O7 | 300.3 g/mol | C1=CC(=CC=C1CCO)OC2C(C(C(C(O2)CO)O)O)O | |
| TCMBANKIN021246 | 5, 7, 4 '- three hydroxy isoflavone | ||||
| TCMBANKIN021364 | (1S,4aS,5R,7S,7aS)-5,7-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[d]pyran-4-carboxylic acid | (1S,4aS,5R,7S,7aS)-5,7-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[d]pyran-4-carboxylic acid; (1S,4aS,5R,7S,7aS)-5,7-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[d]pyran-4-carboxylic acid; (1S,4aS,5R,7S,7aS)-5,7-dihydroxy-7-methyl-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4a,5,6,7a-tetrahydro-1H-cyclopenta[d]pyran-4-carboxylic acid | 392.4 | ||
| TCMBANKIN021486 | 2-ethylidene-1,1-dimethyl-cyclopentane | C9H16 | 124.22 | CC=C1CCCC1(C)C | |
| TCMBANKIN021742 | 7,4'-Dihydroxyflavone | 4',7-Dihydroxyflavone; SPECTRUM1500721; FLAVONE, 4',7-DIHYDROXY-; 7,4'- dihydroxyflavone; NCGC00096029-01; ST5309369; ZINC00057658; 7-hydroxy-2-(4-hydroxyphenyl)-4-chromenone; 2196-14-7; 4H-1-Benzopyran-4-one, 7-hydroxy-2-(4-hydroxyphenyl)-; 7-hydroxy-2-(4-hydroxyphenyl)chromen-4-one; KBioGR_001900; Spectrum4_001280; C12123; 5-18-04-00083 (Beilstein Handbook Reference); BRN 0224356; 7-hydroxy-2-(4-hydroxyphenyl)chromone | C15H10O4 | 254.24 | C1=CC(=C(C=C1O)O)C2=CC(=O)C3=C(O2)C=C(C=C3)O |
| TCMBANKIN021867 | genipin- 1,10- di- O- β- D- glucopyranoside | ||||
| TCMBANKIN022344 | 3-[(α-L-arabinopyranosyl-(1→2)-0-[β-D-xylopyranosyl-(1→3)-0-]-β-D-glucopyranosyl)oxy]-2-hydroxy-,(2α,3β)-ursa-12,20(30)-dien-28-oic acid | ||||
| TCMBANKIN023446 | 3-hydroxy-urs-12-ene-11-ketone | ||||
| TCMBANKIN023666 | 3,4-dihydroxyrottlerin | 3,4-Dihydroxyrottlerin; LMPK12120269; (E)-1-[6-[(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-5,7-dihydroxy-2,2-dimethylchromen-8-yl]-3-(3,4-dihydroxyphenyl)prop-2-en-1-one; AC1NSUQV | C30H28O10 | 548.5 g/mol | CC1=C(C(=C(C(=C1O)C(=O)C)O)CC2=C(C(=C3C(=C2O)C=CC(O3)(C)C)C(=O)C=CC4=CC(=C(C=C4)O)O)O)O |
| TCMBANKIN024436 | 3-hydroxy-4-methyl-2-(7'-piperonyl-n-heptyl)-butenolide | C20H24O5 | COC1=C(C(=O)OC1=C)CCCCCCCC2=CC3=C(C=C2)OCO3 | ||
| TCMBANKIN024747 | methyl dihydrojasmonate | SCHEMBL113648; Jsp004945 | C13H22O3 | 226.31 g/mol | CCCCCC1C(CCC1=O)CC(=O)OC |
| TCMBANKIN025142 | 3'-acetylheliosupine | C22H33NO8 | 439.5 g/mol | CC=C(C)C(=O)OC1CCN2C1C(=CC2)COC(=O)C(C(C)OC(=O)C)(C(C)(C)O)O | |
| TCMBANKIN025486 | manganese | Mn | 54.93804 g/mol | [Mn] | |
| TCMBANKIN025863 | calcium | Ca | 40.08 g/mol | [Ca] | |
| TCMBANKIN026477 | gardenic acid A | ||||
| TCMBANKIN026574 | chromium | Cr | 51.996 g/mol | [Cr] | |
| TCMBANKIN027075 | GARDENOSIDE | Gardenoside; C09779; CHEBI:5277; 24512-62-7; methyl (1R,4aR,7R,7aR)-7-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4a,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylate; gardenoside; methyl (1R,4aR,7R,7aR)-1-(beta-D-glucopyranosyloxy)-7-hydroxy-7-(hydroxymethyl)-1,4a,7,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate | C17H24O11 | 404.37 | COC(=O)C1=COC(C2C1C=CC2(CO)O)OC3C(C(C(C(O3)CO)O)O)O |
| TCMBANKIN028083 | asperuloside_qt | C18H22O11 | 414.36 | ||
| TCMBANKIN028259 | 4,8,12,16-tetramethylheptadecan-4-olide | 4, 8, 12, 16-Tetramethylheptadecan-4-olide | C21H40O2 | 324.5 g/mol | CC(C)CCCC(C)CCCC(C)CCCC1(CCC(=O)O1)C |
| TCMBANKIN028754 | desacetyl asperulosidic acid_qt | C16H22O11 | 390.34 | ||
| TCMBANKIN028919 | nickel | Ni | 58.693 g/mol | [Ni] | |
| TCMBANKIN029281 | zinc | Zn | 65.4 g/mol | [Zn] | |
| TCMBANKIN029727 | 6″-O- ［(E )-p-coumaroyl ］-gentiobiosylgenipin | ||||
| TCMBANKIN029761 | gardenolic acid B | gardenolic acid b | C30H46O5 | 486.68 | CC(CC(=O)C=C(C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)C(CC(C5(C)C(=O)O)O)O)C)C |
| TCMBANKIN029876 | (4aS,6aR,6aS,6bR,8aR,10R,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid | C30H48O3 | 456.7 | ||
| TCMBANKIN030027 | 5,4-dihydroxyl-7-methoxyflavone | ||||
| 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 |
| TCMBANKIN032234 | 5-Hydroxyl-7,4′-dimethoxyfl avone | ||||
| TCMBANKIN032870 | shanzhiside | C16H24O11 | 392.35 g/mol | CC1(CC(C2C1C(OC=C2C(=O)O)OC3C(C(C(C(O3)CO)O)O)O)O)O | |
| TCMBANKIN032907 | α-D-glucopyranosyl-(1 →1')-3'-amino-3'-deoxy-β-D-glucopyranoside | α-D-glucopyranosyl-(1→1')-3'-amino-3'-deoxy-β-D-glucopyranoside | |||
| TCMBANKIN033314 | Methyl vaccenate | 11-Octadecenoic acid, methyl ester; EINECS 228-251-3; Methyl (Z)-octadec-11-enoate; 6198-58-9; V1381_SIGMA; methyl octadec-11-enoate; (E)-octadec-11-enoic acid methyl ester; Methyl trans-vaccenate; METHYL 11-OCTADECENOATE; octadec-11-enoic acid methyl ester; Methyl (E)-octadec-11-enoate; 1937-63-9; EINECS 217-714-5; Methyl trans-11-octadecenoate; trans-11-Octadecenoic acid methyl ester; 52380-33-3 | C19H36O2 | 296.49 | CCCCCCC=CCCCCCCCCCC(=O)OC |
| TCMBANKIN034072 | 3',4'-dimethoxy-5,7,5'-trihydroxyl-flavone 3-o-α-l-rhamnopyranoside | C23H24O12 | CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C(=C4)OC)OC)O)O)O)O | ||
| TCMBANKIN034573 | 2-(β-D-glucopyranosyloxy)-4-hydroxy-benzeneacetonirtile | 311.32 | |||
| TCMBANKIN035919 | antimony | Sb | 121.76 g/mol | [Sb] | |
| TCMBANKIN036414 | GARDENOSIDE_qt | C17H24O11 | 404.37 | ||
| TCMBANKIN036539 | Ethyl oleate (NF) | ethyl (Z)-octadec-9-enoate; (Z)-octadec-9-enoic acid ethyl ester; 75100_FLUKA; 268011_ALDRICH; Oleic acid ethyl ester; 75101_FLUKA; D04090; 317675_ALDRICH | C20H38O2 | 310.51 | CCCCCCCCC=CCCCCCCCC(=O)OCC |
| TCMBANKIN036829 | ursolic acid | ursolicacid; U6753_SIGMA; AIDS-039057; AKOS022168209; Urs-12-en-28-oic acid, 3beta-hydroxy- (8CI); 77-52-1; s2370; 3beta-Hydroxyurs-12-en-28-oic acid; SMR000445681; NSC4060; MLS000728569; Ursolic acid; TOS-BB-0966; 3beta-Hydroxy-12-ursen-28-ic acid; (1S,2R,4R,6aS,6bR,8aR,10S,12aR,12bR,14bR)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,4a,5,6,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-1H-picene-4-carboxylic acid; ursolic acid ; BSPBio_000018; NSC 167406; H719; 89797_FLUKA; EINECS 201-034-0; Prunol; BPBio1_000020; (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid; AI3-03109; CHEBI:9908; ST056289; Ursolicacid; AC-8029; Urs-12-en-28-oic acid, 3-hydroxy-, (3beta)-; Ursolic acid (Malol); CCRIS 7123; BC216337; Urson; (3beta)-3-Hydroxyurs-12-en-28-oic acid; Prestwick3_000089; Malol; C08988; AKOS015965499; SCHEMBL1699371; MolPort-016-633-342; 209545-05-1; AS-13246; AIDS039057; NSC 4060 | C30H48O3 | 456.7 | CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)[O-] |
| TCMBANKIN036840 | protocatechuic acid | 3,4-Dihydroxybenzoic acid; MLS000737807; c0120; 4-Carboxy-1,2-dihydroxybenzene; InChI=1/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11; NSC 16631; ZB000710; Benzoic acid, 3,4-dihydroxy-; 4,5-dihydroxybenzoate; 3,4-dihydrobenzoic acid; DHB; DB03946; AC1N59J2; CCRIS 6291; AIDS082396; Protocatehuic acid; BRN 1448841; protocatechuicacid; 3,4-dihydroxybenzoate; SMR000528167; D-3487; EINECS 202-760-0; 4,5-Dihydroxybenzoic acid; C00230; Catechol-4-carboxylic Acid; 3,4-DHBA; Protocatechuic acid polymer; CHEBI:36241; 2buv; 4-10-00-01459 (Beilstein Handbook Reference); AIDS-082396; 99-50-3; A846038; AIDS002961; Oxidative polymer of protocatechuic acid; 37580_FLUKA; AIDS-002961; 1ykp; Benzoic acid, 3,4-dihydroxy- (9CI); NSC16631; 3,4-bis(oxidanyl)benzoate; CHEBI:36062; 3, 4-Dihydroxybenzoic acid; TULIP017459 | C18H14O8 | 358.299 | c12c(O[C@]([H])(c3c([H])c([H])c(O[H])c(O[H])c3[H])[C@@]1([H])C(=O)O[H])c(O[H])c([H])c([H])c2\C([H])=C([H])\C(O[H])=O |
| TCMBANKIN036875 | geniposide | AKOS015965362; Cyclopenta(c)pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-7-(hydroxymethyl)-, methyl ester, (1S,4aS,7aS)-; 27745-20-6; Cyclopenta(c)pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-7-(hydroxymethyl)-, methyl ester, (1S-(1alpha,4aalpha,7aalpha))-; ZINC03882101; 24512-63-8; Geniposide; (1S,4aS,7aS)-7-(hydroxymethyl)-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylic acid methyl ester; methyl (1S,4aS,7aS)-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylate; AC-20245; C09781; methyl (1S,4aS,7aS)-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylate; (1S,4aS,7aS)-7-methylol-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylic acid methyl ester | C17H24O10 | 388.366 | [C@]1([H])(O[C@@]2([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(C([H])([H])O[H])O2)OC([H])=C(C(OC([H])([H])[H])=O)[C@@]([H])(C([H])([H])C([H])=C3C([H])([H])O[H])[C@]13[H] |
| TCMBANKIN036876 | genipin | (1R,4aS,7aS)-1-hydroxy-7-methylol-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylic acid methyl ester; C09780; methyl (1R,4aS,7aS)-1-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylate; SCHEMBL13526030; (1R,4aS,7aS)-1-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylic acid methyl ester; 6902-77-8; Genipin; SMR001397100; HMS2213D09; CHEMBL1317787; MLS002472994 | C12H16O4 | 224.253 | [C@]12([H])[C@]([H])(C(C([H])([H])O[H])=C([H])C1([H])[H])[C@]([H])(O[H])C([H])([H])C([H])=C2C(OC([H])([H])[H])=O |
| TCMBANKIN036901 | myristic acid | 1-Tridecanecarboxylic acid; Myristinsaeure; CH3-[CH2]12-COOH; 70079_FLUKA; AI3-15381; LMFA01010014; CH3-[CH2]12-COO(-); NCGC00091068-02; Myristic acid-[9,10-3H]; C06424; Emery 655; myristic acid ; NSC 5028; 70082_FLUKA; C14 fatty acid; ST023797; W276405_ALDRICH; CCRIS 4724; Kortacid 1499; 3uev; TUNFSRHWOTWDNC-UHFFFAOYSA-M; Tetradecanoic acid; EINECS 250-924-5; n-Tetradecoic acid; 4-02-00-01126 (Beilstein Handbook Reference); Hydrofol acid 1495; MYR; BRN 0508624; Myristate; Myristic acid (natural); Tetradecanoate; LS-190125; Crodacid; Myristic acid (8CI); EINECS 208-875-2; Prifac 2942; Myristic acid; AIDS002505; tetradecoate; W276413_ALDRICH; FEMA No. 2764; HSDB 5686; Philacid 1400; CHEBI:28875; Edenor C 14; n-tetradecoate; 45184-05-2; myristicacid; tetradecoic acid; n-Tetradecanoic acid; M3128_SIGMA; AIDS-002505; Univol U 316S; Lead dimyristate; AC1N2PSK; NCGC00091068-01; neo-Fat 14; NSC5028; Tetradecanoic acid (9CI); Hystrene 9014; Myristic acid, pure; M4792_SIGMA; CHEBI:30807; n-Tetradecan-1-oic acid; WLN: QV13; 1-tetradecanecarboxylate; 32112-52-0; n-tetradecan-1-oate; 544-63-8 | C14H28O2 | 228.371 | C([H])([H])(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(O[H])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H] |
| TCMBANKIN036917 | apigenin | 520-36-5; Spectrum2_000428; 10798_FLUKA; Biochem Biophys Res Comm 212: 767 (1997); CCRIS 3789; AIDS001401; apigenin-7-olate; KBioGR_002565; KBio3_002887; BSPBio_000368; 5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one; HSCI1_000221; Flavone, 4',5,7-trihydroxy-; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-; EINECS 208-292-3; A3145_SIGMA; 7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-1-benzopyran-5-olate; CHEBI:18388; IDI1_000798; NCGC00025057-04; AIDS-001401; NSC 83244; BPBio1_000406; Apigenol; 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-chromenone; NINDS_000798; NCGC00015049-02; 4′,5,7-Trihydroxyflavone; SPBio_002307; Prestwick_719; 2-(4-hydroxyphenyl)-7-oxidanyl-4-oxidanylidene-chromen-5-olate; Spectrum4_001999; Chamomile; KBio1_000798; BRN 0262620; Prestwick2_000414; Prestwick3_000414; SDCCGMLS-0066379.P001; CHEBI:58470; 5,7, 4'-trihydroxyflavone; NCGC00025057-02; 2-(p-Hydroxyphenyl)-5,7-dihydroxychromone; 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; APIGENIN; Lopac0_000065; K00045; 4′,5,7-Trihydroxyflavone; 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-benzopyrone; NCGC00025057-09; 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one; ACon1_002450; Oprea1_622293; EU-0100065; nchembio790-comp26; 4',5,7-Trihydroxyflavone; NCGC00025057-08; ND-9076; NCGC00025057-01; MEGxp0_000176; Apigenin; 4',5,7-Trihydroxyflavone; apigenin ; Prestwick1_000414; NCGC00015049-01; ZINC00004495; NCGC00025057-05; Spectrum3_001882; BiomolKI_000078; NCI60_041830; Bio1_001354; ghl.PD_Mitscher_leg0.1194; SPECTRUM200846; A828903; DivK1c_000798; 5-18-04-00574 (Beilstein Handbook Reference); 5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-olate; C.I. Natural Yellow 1; 461015-54-3; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)- (9CI); 5,7-dihydroxy-2-(4-hydroxyphenyl)chromone; SMP2_000338; BiomolKI2_000082; Prestwick0_000414; Tocris-1227; Lopac-A-3145; Bio1_000865; NSC83244; Versulin; Pelargidenon 1449; Bio1_000376; Spigenin; 5,7,4'-Trihydroxyflavone; ST056301; UCCF 031; SPBio_000416; Apigenine; C01477; CAS-520-36-5; BSPBio_003384 | C15H10O5 | 270.24 | C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O |
| TCMBANKIN037277 | Oleanolic acid | Olean-12-en-28-oic acid, 3.beta.-hydroxy-; s2334; Caryophyllin; AIDS014809; Giganteumgenin C; SMR000445561; oleanolicacid; (3-beta)-3-Hydroxyolean-12-en-28-oic acid; AIDS-014809; Olean-12-en-28-oic acid, 3-hydroxy-, (3-beta)-; EINECS 208-081-6; NSC 114945; OLEANOLIC ACID; Olean-12-en-28-oic acid, 3-hydroxy-, (3beta)-; CCRIS 6493; AS-11663; SCHEMBL1699365; Virgaureagenin B; CHEBI:37659; MLS000697656; (4aS,5S,6aS,6bR,8R,8aR,10S,12aR,12bR,14bS)-10-Hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-2H-picene-4a-carboxylic acid; AKOS022168208; O5504_SIGMA; MolPort-016-633-333; Oleanolic Acid; Olean-12-en-28-oic acid, 3-beta-hydroxy- (8CI); Oleanic acid; 3beta-Hydroxyolean-12-en-28-oic acid; 3-beta-Hydroxyolean-12-en-28-oic acid; ST057162; Olean-12-en-28-oic acid, 3beta-hydroxy- (8CI); NSC114945; Oleanolic Acid (Caryophyllin); Astrantiagenin C; Olean-12-en-28-oic acid, 3-hydroxy-, (3.beta.)-; 508-02-1; (4R,6aS,6bR,8aR,10S,12aR,12bR,14bR)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-3,4,4a,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydro-1H-picene-4-carboxylic acid; (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid; oleanolic acid | C30H48O3 | 457 | C1([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])C([H])=C([C@@]([H])(C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C2([H])[H])[C@@]2(C(=O)O[H])C([H])([H])C3([H])[H])[C@@]34C( [H])([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])C5([H])[H])[C@@]5([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]1([H])O[H] |
| TCMBANKIN037648 | Lutein | SMP1_000317; (1R,4R)-4-[18-[(4R)-4-hydroxy-2,6,6-trimethyl-1-cyclohexenyl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-2-en-1-ol; SCHEMBL10029505; CHEBI:28838; NSC59193; (1R,4R)-4-[18-[(4R)-4-hydroxy-2,6,6-trimethyl-1-cyclohexenyl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-1-cyclohex-2-enol; C08601; LMPR01070274; (1R,4R)-4-[18-[(4R)-4-hydroxy-2,6,6-trimethyl-1-cyclohexenyl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-cyclohex-2-en-1-ol; (1R,4R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethyl-1-cyclohexenyl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-cyclohex-2-en-1-ol; lutein; 127-40-2; Xanthophyll; (3R,3'R,6'R)-beta,epsilon-carotene-3,3'-diol; BCBcMAP01_000190; (1R,4R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethyl-1-cyclohexenyl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-2-en-1-ol; (1R,4R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethyl-1-cyclohexenyl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-1-cyclohex-2-enol | C40H56O2 | 568.87 | CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CC(CC2(C)C)O)C)C)C |
| TCMBANKIN037813 | genistein | BSPBio_002375; Lopac-G-6649; NCGC00015479-02; K00046; Genisteol; Spectrum_000320; NCGC00025005-01; Sophoricol; KBio2_003368; 4,6,7-Trihydroxyisoflavone; SMR000112580; SIPI 807-1; KBio2_007700; 5,7,4'-Trihydroxyisoflavone; Spectrum4_001543; GEN; NCGC00025005-04; Lopac0_000520; AIDS097204; 5,7-Dihydroxy-3-(4-hydroxyphenyl)-4-benzopyrone; 5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one; Spectrum5_000106; Bio1_001423; NCGC00025005-05; NSC 36586; NCGC00025005-02; 4′,5,7-Trihydroxyisoflavone; Differenol A; NPI 031L; ACon1_001065; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(4-hydroxyphenyl)-; Bio1_000934; NCI60_003369; UPCMLD-DP096:001; NCGC00015479-01; genistein ; Spectrum2_000638; KBio2_002564; nchembio.76-comp6; G6776_SIGMA; DivK1c_006401; 5-18-04-00594 (Beilstein Handbook Reference); cMAP_000086; EU-0100520; 5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-olate; Tocris-1110; CHEBI:74224; KBioGR_002006; Bio1_000445; BRN 0263823; 446-72-0; MEGxp0_000568; Oprea1_437815; SMP1_000133; KBio1_001345; 5,7-DIHYDROXY-3-(4-HYDROXYPHENYL)-4H-1-BENZOPYRAN-4-ONE; Lactoferrin-genistein; SPECTRUM210296; 4',5, 7-trihydroxyisoflavone; NSC36586; EINECS 207-174-9; CHEBI:28088; Oprea1_224620; AIDS-097204; 4',5,7-Trihydroxyisoflavone; C06563; KBio3_003042; SPBio_000636; genistein(1-); KBio2_000800; 4′,5,7-Trihydroxyisoflavone; G6649_SIGMA; Prunetol; KBioGR_002564; C.I. 75610; KBioSS_000800; Genistein; TNP00151; CCRIS 7675; MolMap_000022; KBio2_005132; KBio3_001595; ZINC00041692; AIDS016499; ST056352; SpecPlus_000305; Isoflavone, 4',5,7-trihydroxy-; 4',5,7-Trihydroxy isoflavone; STO514; 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one; KBioSS_002573; KBio2_005936; Genistein; 4',5,7-Trihydroxyisoflavone; Spectrum3_000678; PTI G4660; AIDS-016499; nchembio.2007.28-comp32; Genisterin; NCGC00025005-07; MLS000738127 | C15H10O5 | 270.24 | C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O |
| TCMBANKIN037837 | picrodendrin a | NSC-633054; Picrodendrin A; NSC633054 | C21H28O10 | 440.4 g/mol | CC(C)C1(C2C(C3(C4(CC(=C(CO)OC)C(=O)O4)C5C(C3(C1C(=O)O2)O)O5)C)OC)O |
| TCMBANKIN038173 | Benzyl acetate | trimethyl(2-phenoxyethyl)azanium iodide; Iodure de phenoxyethyl-trimethylammonium; C15513; Ethanaminium, 2-phenoxy-N,N,N-trimethyl-, iodide (9CI); acetic acid phenylmethyl ester; Benzyl acetate + glycine combination; Benzylester kyseliny octove [Czech]; NSC4550; W213519_ALDRICH; 2-Phenoxy-N,N,N-trimethylethanaminium iodide; NCGC00090779-02; Acetic acid, benzyl ester; benzyl acetate; Phenylmethyl ethanoate; B15805_ALDRICH; ETHANAMINIUM,N,N,N-TRIMETHYL-2-PHENOXY-, IODIDE (1:1); Phenyl ether choline iodide; Benzyl ethanoate; FEMA No. 2135; LS-18848; W213500_ALDRICH; 50475_FLUKA; Benzyl acetate (natural); acetic acid benzyl ester; alpha-Acetoxytoluene; NSC 4550; NCGC00090779-01; AI3-01996; (2-Phenoxyethyl)trimethylammonium iodide; CCRIS 1423; Acetic acid, phenylmethyl ester; 21982-87-6; InChI=1/C9H10O2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H; EINECS 205-399-7; HSDB 2851; AC1L1KHH; 45850_FLUKA; WLN: 1VO1R; Choline phenyl ether iodide; Phenylmethyl acetate; Iodure de phenoxyethyl-trimethylammonium [French]; AMMONIUM, (2-PHENOXYETHYL)TRIMETHYL-, IODIDE; Ethanaminium,N,N,N-trimethyl-2-phenoxy-,iodide(1:1); Caswell No. 081EA; 43957_FLUKA; NSC-9550; .alpha.-Acetoxytoluene; 140-11-4; Ethanaminium, 2-phenoxy-N,N,N-trimethyl-, iodide; ZINC00157134; NCI-C06508; NSC9550 | C9H10O2 | 150.17 | C[N+](C)(C)CCOC1=CC=CC=C1.[I-] |
| TCMBANKIN039274 | 3,4-Dihydroxy-beta-phenethyl-O-beta-D-glucopyranosyl-(1-3)-O-alpha-L-rhmnopyranosyl-(1-6)-4-O-caffeoyl-beta-D-glucopyranoside | 3,4-dihydroxy-beta-phenethyl-o-beta-d-glucopyranosyl-(1-3)-o-alpha-l-rhmnopyranosyl-(1-6)-4-o-caffeoyl-beta-d-glucopyranoside | C36H48O19 | 784.84 | c1(O[H])c([H])c(\C([H])=C([H])\C(=O)O[C@]2([H])[C@@]([H])(C([H])([H])O[C@@]3([H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(C([H])([H])[H])O3)C([H])([H])[C@@]([H])(OC([H])([H])C([H])([H]) c4c([H])c([H])c(O[H])c(O[H])c4[H])[C@]([H])(O[H])[C@@]2([H])O[C@]([H])(O[C@]5([H])C([H])([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]5([H])O[H])c([H])c([H])c1O[H] |
| TCMBANKIN039453 | 6-O-Methylscandoside methyl ester | 6- O- Methylscandoside Methyl Ester | |||
| 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] |
| TCMBANKIN040036 | 1,5-Dihydroxyxanthone-6-O-β-D-glucoside | 1,5-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyxanthen-9-one; 1,5-dihydroxyxanthone-6-o-beta-d-glucoside; 1,5-Dihydroxy-6-(beta-D-glucopyranosyloxy)xanthone; AC1NSUSA | 406.3 g/mol | ||
| TCMBANKIN040507 | 10-o-acetylgeniposide | 10-O-Acetylgeniposide; AC1O44LE; CHEMBL1078435; 10-Acetylgenipiside; methyl (1S,4aS,7aS)-7-(acetyloxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate | C19H26O11 | 430.4 g/mol | CC(=O)OCC1=CCC2C1C(OC=C2C(=O)OC)OC3C(C(C(C(O3)CO)O)O)O |
| TCMBANKIN041071 | 5'-methoxylariciresinol | C21H26O7 | 390.4 g/mol | COC1=CC(=CC(=C1O)OC)C2C(C(CO2)CC3=CC(=C(C=C3)O)OC)CO | |
| 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] |
| TCMBANKIN041272 | stearic acid | 4-02-00-01206 (Beilstein Handbook Reference); AIDS-049230; Emersol 871; 8039-52-9; 126539-56-8; stearic acid, ion(1-); D00119; octadecoic acid; Hydrofol Acid 150 (VAN); 134503-33-6; Fatty acids C16-18; 68937-76-8; Kam 2000; VLZ 200; Lunac S 98; Glycon S-80; Hy-phi 1205; Lunac YA; Pristerene 9429; Pristerene 4900; Octadecanoic acid (9CI); Hystrene 9718NF; Edenor FHTI; Cetylacetic acid; NAA 173; NSC 25956; Lunac S 90; S 30C S 30C (fatty acid); Neo-Fat 18-61; Dar-chem 14; NSC25956; Edenor HT-JG 60; Octadecanoate; 57485-56-0; Oktadekansaeure; S 300 (fatty acid); Unister NAA 180; Industrene 5016; Prisorine 3508; Hydrofol Acid 150; Hystrene 4516; G 270; Stearic Acid Cherry; Century 1230; 822-16-2 (SODIUM SALT); NCGC00091596-02; Glycon S-90; 85404-83-7; NCGC00091596-01; Stearic acid (JP15/NF); Hystrene 5016; Hy-phi 1303; Glycon S-70; C01530; Octadecansaeure; Neo-Fat 18-55; WO 2 (fatty acid); Pristerene 9559; SA 200; Century 1240; Stearic acid, pure; Sunfat 18S; WO 2; CHEBI:28842; Industrene 5016K; LS-2392; Kam 3000; BRN 0608585; Edenor ST 20; AIDS049230; Lunac 30; EINECS 273-087-8; Emersol 150; 175366_SIAL; 8039-54-1; Fatty acids, C16-20; stearicacid; Stearic acid ion(1-)salt; Stearic acid (8CI); Stearinsaeure; Emersol 153NF; Hydrofol acid 1855; 57-11-4; Lunac S 30; Hystrene T 70; Prisorine 3501; Haimaric MKH(R); Stearex Beads; Groco 55; Hystrene S-97; Neo-Fat 18-54; W303518_ALDRICH; Hydrofol acid 1655; Nonsoul SN 1 (*Sodium salt*); EINECS 200-313-4; 39390-61-9; Emersol 120; EPA Pesticide Chemical Code 079082; Lunac S 20; Octadecanoic acid, ion(1-); 8013-28-3; AI3-00909; Kortacid 1895; FEMA No. 3035; Hystrene S 97; 82497-27-6; Tegostearic 254; SNA-2000 (*Sodium salt*); 1-Heptadecanecarboxylic acid; AC1MHWEJ; STL280244; 27405_RIEDEL; Steric acid; Industrene 9018; Glycon dp; F 3 (lubricant); Hy-phi 1401; Lunac S 50; Emersol 132; Stearic acid, ion(1-) (8CI); CH3-[CH2]16-COO(-); acide octadecanoique; Groco 55l; 73297_FLUKA; Serfax MT 90; Stearic acid [USAN:JAN]; 8039-51-8; acide stearique; Kam 1000; Acidum stearinicul; InChI=1/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20; 8039-53-0; 17FA; Stearophanic acid; 8037-83-0; Hystrene 7018; FA 1655; Prisorine 3502; Nonsoul SK 1; Hydrofol Acid 1895; Lunac S 40; Stearic acid 50; 8023-06-1; 85679_FLUKA; HSDB 2000; n-Octadecanoate; 400JB9103-88; Glycon tp; Unimac 5680; Loxiol G 20; Stearate; 875D; Octadecanoic acid; Neo-Fat 18-53; octadecanoate (n-C18:0); Radiacid 0427; Emery 871; Vanicol; Vis-Plus; PD 185; EINECS 250-178-0; AKOS022105769; 646-29-7; Edenor ST 1; S 300; Caswell No. 801D; Selosol 920; Tegostearic 272; Isostearic acid EX; A 1760; WLN: QV17; Stearic acid (TN); Pearl stearic; 609343-71-7; Palmitic acid - stearic acid mixture; Emersol 875; Industrene 8718; Hystrene 9718NFFG; NCGC00164255-02; ST023799; LMFA01010018; Groco 54; Edenor C18; Hystrene T-70; Hy-phi 1199; CTK8J8420; n-Octadecanoic acid; Groco 58; Pristerene 4963; Formula 300; AFCO-Chem B 65; CCRIS 2305; Industrene R; Century 1220; S4751_SIGMA; Neo-Fat 18; 58392-66-8; Barolub FTA; Hystrene 9718; CH3-[CH2]16-COOH; STE; 8037-40-9; 30399-84-9; Lunac S 90KC; Hydrofol 1895; Emery 875D; Century 1210; QIQXTHQIDYTFRH-UHFFFAOYSA-M; Neo-Fat 18-59; LS-1388; Groco 59; Humko Industrene R; Hystrene 80; Adeka Fatty Acid SA 910; Stearic acid; Prifac 2918; Emersol 6349; Edenor C 18/98; 3uex; LS-97707; CHEBI:25629; Neo-Fat 18-S; Stearic acid - palmitic acid mixture; Tegostearic 255; C-Lube 10 | C18H36O2 | 284 | C([H])([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(O[H])= O |
| TCMBANKIN041402 | chlorogenic acid | 3-methyl-1,4,5-tris(oxidanyl)cyclohexane-1-carboxylic acid; 4-prop-1-enylbenzene-1,2-diol; A821421; 4-prop-1-enylbenzene-1,2-diol; 1,3,4-trihydroxy-5-methyl-1-cyclohexanecarboxylic acid; chlorogenic acid ; Chlorogenic acid; chlorogenicacid | C16H18O9 | 354.309 | C1([H])([H])[C@](C(O[H])=O)(O[H])C([H])([H])[C@@]([H])(OC(=O)\C([H])=C([H])/c2c([H])c([H])c(O[H])c(O[H])c2[H])[C@]([H])(O[H])[C@@]1([H])O[H] |
| TCMBANKIN041659 | genistin | 4′,5,7-Trihydroxyisoflavone 7-glucoside; ACon1_001495; Genistein-7-O-beta-D-glucopyranoside; genistein 7-O-beta-D-glucopyranoside; 4H-1-Benzopyran-4-one, 7-(beta-D-glucopyranosyloxy)-3-(4-hydroxyphenyl)-; 5-hydroxy-3-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone; CHEBI:27514; 5-hydroxy-3-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one; genistein 7-O-glucoside; SCHEMBL241743; 4',5,7-trihydroxyisoflavone 7-D-glucoside; 5-hydroxy-3-(4-hydroxyphenyl)-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-chromenone; G0897_SIGMA; genistin ; Genistein, 7-beta-D-glucopyranoside; NSC 5112; Genistin; 529-59-9; 5-hydroxy-3-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one; 4H-1-Benzopyran-4-one, 7-(beta-D-glucopyranosyloxy)-5-hydroxy-3-(4-hydroxyphenyl)- (9CI); Genistein, 7-O-beta-D-glucoside; Genistin (8CI); 5-hydroxy-3-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one; 5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside; BRN 0064479; LMPK12050166; C09126; 4-18-00-02732 (Beilstein Handbook Reference); Glucopyranoside, genistein-7, beta-D-; Prevention 10 (soy isoflavone concentrate); Genistine; MEGxp0_000436; 48756_FLUKA; NCGC00163559-01; Genistein 7-O-beta-D-glucoside | C21H20O10 | 432.38 | C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)OC4C(C(C(C(O4)CO)O)O)O)O |
| TCMBANKIN042423 | 7β,8β-Epoxy-8α-dihydrogeniposide | ||||
| TCMBANKIN042717 | 8-o-methylmonotropein methyl ester | COC(=O)C1=COC(C2C1C=CC2(CO)OC)OC3C(C(C(C(O3)CO)O)O)O | |||
| TCMBANKIN043140 | Gardenone | (3S,3aS)-3-ethoxy-3,7,7-trimethyl-3a,4,6,7a-tetrahydro-1H-2-benzofuran-5-one; AC1NSVRD; gardenone | C13H22O3 | 226.312 | C1(=O)C([H])([H])[C@@]([C@@](C([H])([H])[H])(OC([H])([H])C([H])([H])[H])OC2([H])[H])([H])[C@]2([H])C(C([H])([H])[H])(C([H])([H])[H])C1([H])[H] |
| TCMBANKIN045215 | 3,5-di-o-caffeoylquinic acid | 3,5-di-o-caffeoylquinic acid; 3,5-di-O-caffeoylquinic acid; 3,5-di-O-caffeoyl quinic acid_Isochlorogenic acid A; 3,5-di-o-caffeoyl,quinic,acid | C27H28O12 | 545 | C1([H])([H])C(O[H])(C(=O)O[H])C([H])([H])[C@]([H])(OOc(c([H])c2\C([H])=C([H])\C(C([H])([H])[H])=O)c(O[H])c([H])c2[H])C([H])(O[H])[C@@]1([H])OOc(c([H])c3\C([H])=C([H])\C(C([H])([H])[H])=O)c(O[H])c([H]) c3[H] |
| TCMBANKIN046294 | gardnerilin a | Gardnerilin A | C35H66O8 | 614.9 g/mol | CCCCCCCCCCCCC(C(CCC(C(CCCCCCC(CCCC(CC1=CC(OC1=O)C)O)O)O)O)O)O |
| TCMBANKIN046488 | gardendiol | (4S,4aS,7aS)-4,7-bis(hydroxymethyl)-4-methyl-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-3-one; AC1NSVRA | C10H14O4 | 198.22 g/mol | C1C=C(C2C1C(C(=O)OC2)CO)CO |
| TCMBANKIN046659 | Gastrodamine | AC1NSVRP; 4-[[hydroxy-[(4-hydroxyphenyl)methyl]amino]methyl]phenol; SCHEMBL10979593 | C14H15NO3 | 245.274 | c1([H])c([H])c(C([H])([H])N(C([H])([H])c2c([H])c([H])c(O[H])c([H])c2[H])O[H])c([H])c([H])c1O[H] |
| TCMBANKIN047232 | Genipinic acid | 2-acetyloxy-2-[(3S,4R)-3-hydroxy-3,4,5,6-tetrahydro-1H-cyclopenta[c]furan-4-yl]acetic acid; AC1NSVS9; genipinicacid | C11H14O6 | 242.225 | C12=C(C([H])([H])O[C@]1([H])O[H])C([H])([H])C([H])([H])[C@@]2([H])[C@]([H])(OC(C([H])([H])[H])=O)C(=O)O[H] |
| TCMBANKIN048818 | 3'-Hydroxy-4',5'-dimethoxyflavone | 298.29 g/mol | |||
| TCMBANKIN057901 | BI; Bismuth | Bi | 208.9804 g/mol | [Bi] | |
| TCMBANKIN057904 | cuprum | copper | Cu | 63.55 g/mol | [Cu] |
| TCMBANKIN057905 | ferrum | iron | Fe | 55.84 g/mol | [Fe] |
| TCMBANKIN057910 | plumbum | lead | Pb | 207 g/mol | [Pb] |
| TCMBANKIN057912 | stannum | tin | Sn | 118.71 g/mol | [Sn] |
| TCMBANKIN058057 | D-Chiro-Inositol | Chiro-inositol;mesoinositol; Myo-inositol; i-inositol; Inositol-c; scyllo-insitol; Inositol;KS-00001292; TR-022051; BG01505581; MFCD01321249; CTK1C5947; AKOS024318869; INOSITOL (D); Inositene; CHEBI:27374; D-(+)-chiro-Inositol; LT03328768; I-6500; 2H3; (1R,2R,3R,4S,5S,6s)-cyclohexane-1,2,3,4,5,6-hexaol; D07CPO; W-203081; NCGC00178580-01; ZINC103574430; Myoinositol; ZINC100019018; NSC-103959; SCHEMBL13114116; UNII-1VS4X81277; 12513-EP2292610A1; AKOS015912934; NSC25142; Inosite; (1R,2R,3R,4R,5S,6S)-Cyclohexane-1,2,3,4,5,6-hexaol; BG00909558; 1,2,3,4,5,6-Cyclohexanehexol, (cis,cis,cis,trans,cis,trans)- #; BG01505582; NSC-127230; AK307531; Inositol, cis-; NSC 8101; 643-12-9; CHEBI:23311; MolPort-001-785-905; NSC-404118; KB-296111; 12513-EP2316831A1; K572; MolPort-003-719-862; Inositol, chiro-; Inositol (VAN8C; Isoinositol; I14-47230; GTPL4645; s4530; EINECS 211-394-0; 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE; CHEBI:22357; AK324051; Inositol [USAN:NF]; bmse000922; CDAISMWEOUEBRE-OQYPVSDDSA-N; DSSTox_RID_76890; NCGC00255362-01; 1VS4X81277; 1D-Chiro-inositol; chiro-inositol; BG01505565; 488-55-1; BG01505566; AKOS015960429; NSC103959; 576-63-6; SBI-0051369.P003; 1,2,4,5/3,6-cyclohexanehexol; I14-2742; 12513-EP2277880A1; AKOS015960633; J101.891D; A834712; Scyllitol; CHEBI:23927; KM0846; 1,2,3,4,5,6-Hexahydroxycyclohexane; Spectrum3_001053; HMS2091N13; MLS001332378; MolPort-001-742-552; NCIOpen2_008191; Cocositol; Phaseomannitol; Scyllite; myo-Inositol, 98% 100g; BSPBio_002606; KBio2_002075; FT-0693614; Inositol, United States Pharmacopeia (USP) Reference Standard; TR-017741; CCRIS 6745; STL453612; ZINC253837650; I0631; D03SHD; SCHEMBL6791918; 3635-EP2292088A1; AB00051982_13; CHEBI:17268; TR-022053; Iso-inositol; MFCD00077932; CTK8B3795; myo-Inositol, >=99%; GTPL4495; C19891; KSC225S4P; ZINC100073149; DSSTox_GSID_23146; MLS001335965; TL8004551; SMR000857319; bmse000102; AJ-26654; 887751-76-0; DB03106; UNII-9O6Y5O4P9W; 38876-99-2; myo-Inositol, BioUltra, >=99.5% (HPLC); Inositol, neo-; Matezodambose; 6R79WV4R10; I0040; Mesol; W-203392; NSC404118; 1,2,4/3,5,6-Cyclohexane-1,2,3,4,5,6-hexol; Rat antispectacled eye factor; Inositol FCC; 3635-EP2305682A1; 1,2,3,5/4,6-Cyclohexanehexol; BG01505593; cis-Inositol, >=98.0% (TLC); Tox21_302035; CDAISMWEOUEBRE-LOLGQZEGSA-N; 643-10-7; AKOS027327401; 1,2,4/3,5,6-Hexahydroxycyclohexane; 3635-EP2295417A1; CHEMBL278373; FT-0652045; 3635-EP2305677A1; 1,2,3,4,5,6-Cyclohexanehexol; Neo-inositol; (1s,2R,3R,4s,5S,6S)-cyclohexane-1,2,3,4,5,6-hexol; Q-201583; Hexahydroxycyclohexane; SCHEMBL187278; (1S,2S,4S)-CYCLOHEXANE-1,2,3,4,5,6-HEXOL; CHEMBL1231671; EINECS 207-682-0; I14-47232; 1D-myo-Inositol; CHEMBL468154; SCHEMBL13058696; SC-18136; 3635-EP2280282A1; DB13178; 3635-EP2289886A1; Spectrum_001595; Inositol, Pharmaceutical Secondary Standard; Certified Reference Material; NSC-757076; AKOS006240678; I14-60538; 12513-EP2374790A1; CJ-23964; AK102790; UNII-63GQX5QW03; INS; 87-89-8; Scyllite (for the structural isomer scyllo-Inositol); 2os9; CHEMBL1222251; I14-47231; MLS001335966; (1R,2R,3S,4R,5r,6S)-cyclohexane-1,2,3,4,5,6-hexaol; alloinositol; ANW-43204; 4irx; KS-1420; Inositol (VAN); inositols; 4L6452S749; C06153; (1R,2R,3R,4R,5S,6S)-cyclohexane-1,2,3,4,5,6-hexol; Inosital; ZINC100037751; AB0014290; MEGxp0_001817; (1r,2R,3S,4r,5R,6S)-cyclohexane-1,2,3,4,5,6-hexol; Inositol, myo-; ELND 005; 13719-EP2311831A1; cyclohexane-1,2,3,4,5,6-hexol; FT-0627237; AKOS015912905; KS-0000146H; (+)-Chiro-Inositol; AC1L1A9E; L-(-)-chiro-Inositol, 95%; (1R,2R,3R,4S,5S,6R)-CYCLOHEXANE-1,2,3,4,5,6-HEXOL; myo-Inositol, BioReagent, suitable for cell culture, suitable for insect cell culture, suitable for plant cell culture; 3635-EP2305636A1; C06151; 12513-EP2292597A1; myo-Inositol, purum, >=98.0% (HPLC); Inositol, scyllo-; MFCD00799555; 12513-EP2298768A1; NSC-25142; 1,2,3/4,5,6-cyclohexanehexol; MFCD00799556; cis-1,2,4-trans-3,5,6-Cyclohexanehexol; ST24024704; Inositol, myo- (8CI); SCHEMBL13114115; GTPL4649; Bios I; M01914; ST50406013; NSC127230; FT-0632209; ZINC250615063; AC1Q2AJJ; SR-05000001655; Mesoinosite; Muscle sugar; ZINC102201844; 6917-35-7; myo-Inositol, European Pharmacopoeia (EP) Reference Standard; 3635-EP2308879A1; Insitolum; D-myo-Inositol, Cell Culture Grade; I0630; Spectrum4_001193; epi-Cyclohexanehexol; SCHEMBL187796; NSC-45517; CDAISMWEOUEBRE-GPIVLXJGSA-N; 488-54-0; CC-093; 40032-EP2298312A1; ZINC1530357; 13719-EP2308875A1; CHEBI:27987; AN-24133; epi-Inositol; (1r,2R,3R,4s,5S,6S)-cyclohexane-1,2,3,4,5,6-hexol; Pharmakon1600-01500352; CDAISMWEOUEBRE-GNIYUCBRSA-N; Tox21_111642; UNII-6R79WV4R10; 13719-EP2316836A1; SMR000857145; HMS2230N03; (1s,2s,3s,4s,5s,6s)-cyclohexane-1,2,3,4,5,6-hexol; mesoinositol; NCGC00159409-04; CHEBI:27372; CJ-05199; SCHEMBL6378921; AK115152; (1/4) inverted exclamation markIC; SCHEMBL491333; myo-Inositol, Vetec(TM) reagent grade, 99%; 3635-EP2275412A1; ELND005; NCGC00169828-01; I0632; EINECS 207-681-5; 3635-EP2295437A1; SCHEMBL14542470; MolPort-003-848-190; Muco-Inositol; D0Y4UQ; Epi-inositol, 98%; 1,2,3,4,5,6/0-cyclohexanetetrol; Mesovit; D-chiro-Inositol, >=98.0% (HPLC); TRA-0204644; 36190-90-6; NSC 25142; cis-Inositol; (1R,2R,3S,4R)-CYCLOHEXANE-1,2,3,4,5,6-HEXOL; SCHEMBL12377889; cis-1,2,3,5-trans-4,6-Cyclohexanehexol; i-Inositol; L-Inositol; CHEBI:10642; 12513-EP2305825A1; Chiro-inositol, (-)-; Inositol, muco-; Quercinitol; M94176HJ2F; HY-B1411; SCHEMBL12711208; SCHEMBL13580047; CDAISMWEOUEBRE-CDRYSYESSA-N; scyllo-Cyclohexanehexol; ZINC101185827; Allo-inositol; Tox21_111642_1; HMS3373E05; 1,3,5/4,6-Cyclohexanehexol; EINECS 209-000-7; KS-1284; W-203168; 13719-EP2280010A2; Phaseomannite; EPIINOSITOL; (+)-Epi-Inositol; NSC45517; Inositol (NF); 6643AB; (1R,2R,3S,4S,5S,6S)-Cyclohexane-1,2,3,4,5,6-hexaol; SCHEMBL4748543; AK307315; 13719-EP2269977A2; 488-58-4; UNII-M94176HJ2F component CDAISMWEOUEBRE-LKPKBOIGSA-N; cis-1,3,5-trans-4,6-Cyclohexanehexol; SCHEMBL13114128; SCHEMBL6468882; UNII-587A93P465; scyllo-Inositol, >=98%; SMR000857320; D-chiro Inositol; AZD 103; SCHEMBL188237; SCHEMBL12411898; bmse000113; epi-Inositol, >=98.0% (HPLC); MLS001335967; 19030-27-4; AK307406; INOSITOL (L); KBio2_007211; Cyclohexane-1,2,3,4,5,6-hexaol; 41546-34-3; (1S,4S)-CYCLOHEXANE-1,2,3,4,5,6-HEXOL; NSC8101; NSC-55551; 63GQX5QW03; (1R)-Cyclohexane-1r,2c,3t,4c,5t,6t-hexaol; myo -Inositol; ZINC306121118; D08DXZ; ST24049158; AX8234329; Inositol, epi-; TRA0065469; 551-72-4; 488-59-5; NSC55551; 1D7A27BF-6060-4FA9-AC46-3BD18DBA406E; 3635-EP2298312A1; Myoinosite; HMS2235M23; NSC-55552; Inositol [Nonspecific isomer]; A836375; SR-05000001655-5; myo-Inositol, SAJ special grade, >=99.0%; 13719-EP2298734A2; D-chiro-Inositol; HMS2235H05; AN-18118; (1S,2R,4R)-CYCLOHEXANE-1,2,3,4,5,6-HEXOL; KBio3_001826; Inositol, meso-; ZINC103574467; AS-10616; CAS-87-89-8; Inositina; SCHEMBL959404; I0629; BG00909545; AmbotzGBB1246; EINECS 211-393-5; 1,3,5/2,4,6-cyclohexanehexol; EINECS 201-781-2; SCHEMBL5831; Meat sugar; neoinositol; 9O6Y5O4P9W; (-)-chiro-Inositol; 13719-EP2289891A2; AKOS015895894; 13719-EP2295437A1; (-)-Inositol; NSC55552; Cyclohexanehexol; Inosital (TN); Levoinositol; FT-0632208; BG01505583; cyclohexane-1R,2R,3S,4S,5R,6S-hexol; TL8004550; L-chiro-Inositol; Myo inositol; Spectrum5_000961; (1R,2S,3S,4R,5S,6r)-cyclohexane-1,2,3,4,5,6-hexol; myo-inositol; (1S,2R,4S)-CYCLOHEXANE-1,2,3,4,5,6-HEXOL; MFCD00272608; MLS001332377; D08079; SCHEMBL12371461; meso-Inositol; D-myo-Inositol; Cyclohexitol; ZINC100018867; 1,2,3,4/5,6-cyclohexanehexol; D-(+)-chiro-Inositol, 95%; (1R,2R,3S,4S,5S,6S)-cyclohexane-1,2,3,4,5,6-hexol; ACon1_002457; KBioGR_001885; NSC-8101; TR-019452; FT-0670357; AKOS015994742; ZINC100032893; NSC757076; CS-4782; allo-Inositol, 97%; AN-23658; Mesoinosit; KS-00000QA9; AKOS027320475; KBio2_004643; ZINC103574475; UNII-4L6452S749; SCHEMBL5969; ZINC100055570; 1,3,5/2,4,6-Hexahydroxycyclohexane; KS-000017FC; 3635-EP2298775A1; bmse000901; FCH1118762; NCGC00159409-03; R1Y9F3N15A; I14-101844; myo-Inositol, for microbiology, >=99.0%; I0633; Dambose; myo-Inositol, PharmaGrade, meets FCC testing specifications, Manufactured under appropriate controls for use as a raw material in pharma or biopharmaceutical production.; FT-0693444; 1-L-chiro-Inositol; (1r,2r,3r,4r,5r,6r)-cyclohexane-1,2,3,4,5,6-hexol; SR-05000001655-1; SCHEMBL188106; L-(-)-chiro-Inositol; L-myo-Inositol; 1,2,3,4,5,6-Cyclohexanehexaol; UNII-M94176HJ2F component CDAISMWEOUEBRE-SHFUYGGZSA-N; ZINC100513675; 173524-45-3; 643C129; NSC-55558; CCG-36096; Mouse antialopecia factor; FT-0632730; NSC55558; 8LQ63P85IC; I0628; MolPort-006-111-433; NCI60_041778; CDAISMWEOUEBRE-NIPYSYMMSA-N; KBioSS_002075; C00137; CBU; 220128F1-89BF-442D-AD6D-E6D1EA7BA625; UNII-R1Y9F3N15A; D0B1EY; 1,2,3,5-trans-4,6-Cyclohexanehexol, cis-; MolPort-003-933-930; 587A93P465; CHEBI:25492; NSC 404118; UNII-M94176HJ2F; MCULE-2727773046; J101.890F; HMS3369F20; SCHEMBL5832; UNII-8LQ63P85IC; 12513-EP2277881A1; UNII-4661D3JP8D; 53319-35-0; MLS001335968; 1,2,3,4,5,6-Cyclohexanehexol #; myo-Inositol, p.a., 98.0%; meso-(1/4) inverted exclamation mark (1/4); AC-11070; SCHEMBL959405; NCGC00178580-03; (1r,2R,3S,4s,5R,6S)-cyclohexane-1,2,3,4,5,6-hexol; I06-1350; 1L-Chiro-inositol; SCHEMBL1055883; Nucite; LS-2350; RP24128; 1,2,3,4,5/6-cyclohexanehexol; GTPL4648; Epitope ID:144993; SCHEMBL12735687; AKOS006332036; Inositol NF 12; MFCD00003863; AK546883; 1,2,4/3,5,6-cyclohexanehexol; 13719-EP2298775A1; EINECS 230-024-9; W-202862; (1R,2R,3S,4S,5S,6R)-CYCLOHEXANE-1,2,3,4,5,6-HEXOL; NCGC00159409-02; 4661D3JP8D; 1L-myo-Inositol; Scyllo-inositol; C06152; Chiro-inositol, (+)-; Inositol, i-; CHEMBL1950780; 1,2,3,4,5,6-cyclohexanhexol; 1,2,3,4,5,6-cyclohexanehexol, (1alpha,2alpha,3alpha,4beta,5alpha,6beta); D-(+)-Chiro Inositol; SC-91157; KS-00001315; NP-010162; I14-47229; VC30505; 4CH-024633; KB-251247; MFCD00065455; (1R,2R,3S,4R,5S,6S)-cyclohexane-1,2,3,4,5,6-hexol; CDAISMWEOUEBRE-UHFFFAOYSA-N; ZINC100024490; Inositol, allo-; AI3-16111; Ambap6917-35-7; HMS3369B06; 7B0CEF84-D9CE-4A88-AA7D-EC50C89387A5; 1,3,4,5,6-Cyclohexanehexol; inositol; W-202861; SCHEMBL187397; DSSTox_CID_3146; ZINC100035580; 40032-EP2311830A1; 12513-EP2298744A2; K-9876; INOSITOL, MESO; CHEBI:24848; bmse000103; TR-016439; SCHEMBL13207905; (+)-Inositol; CHEMBL122705;cocositol;D-myo-inositol | C6H12O6 | 180.16 g/mol | C1(C(C(C(C(C1O)O)O)O)O)O |
| TCMBANKIN058092 | desacetyl asperulosidic acid | deacetylasperulosidic acid;deacetyl asperulosidic acid; deacetyl asperulosidicacid; deacetyl asperulosidic acid methyl ester | C16H22O11 | 390.34 | C1=C(C2C(C1O)C(=COC2OC3C(C(C(C(O3)CO)O)O)O)C(=O)O)CO |
| TCMBANKIN058114 | trans-caffeic acid | 3-(3,4-dihydroxy-phenyl)-acrylic acid; caffeic acid; Caffeate; Lopac-C-0625; 71693-97-5; DivK1c_006624; KBio2_007302; (Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; NCGC00015206-02; CAS-3331-39-5; 60020_FLUKA; AI3-63211; 3-(3,4-Dihydroxyphenyl)-2-propenoic acid polymer; (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; NSC623438; 4-(2'-Carboxyvinyl)-1,2-dihydroxybenzene; KBio2_004734; (2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; CHEMBL1320034; AIDS-002287; AIDS002287; 501-16-6; CHEBI:36281; Prestwick1_000902; KBio1_001568; 3-(3,4-Dihydroxyphenyl)-2-propenoic acid; AKOS000273846; OR1165; SMR000058214; Spectrum2_001612; 3,4-dihydroxycinnamate; (Z)-3-(3,4-dihydroxyphenyl)acrylic acid; Caffeicacid; KOP; AC1NO658; CCRIS 847; Caffeic acid dehydrogenation homopolymer; SPECTRUM1503987; Spectrum4_001694; SCHEMBL3682144; NCGC00017364-01; NCGC00022654-08; 4-(2-Carboxyethenyl)-1,2-dihydroxybenzene; 78734C5A-1281-44D4-B8A0-A3188AD437E3; cis-Caffeic acid; 3-(3,4-dihydroxyphenyl)acrylic acid; Cinnamic acid, 3,4-dihydroxy-; KBioGR_001988; 3,4-Dihydroxybenzeneacrylic acid; 3,4-dihydroxycinnamic acid; trans-caffeic acid; AIDS-026339; NCGC00015206-01; HSDB 7088; ZINC4482687; (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; 3-(3,4-dihydroxyphenyl)prop-2-enoate; Isocaffeic acid; SBB006475; InChI=1/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2; NCGC00017364-02; EU-0100208; C01197; MolPort-001-759-162; KBioSS_002166; Caffeic acid pure; caffeic acid ; trans-Caffeate; (2E)-3-(3,4-dihydroxyphenyl)acrylic acid; NSC 57197; (2E)-3-(3,4-Dihydroxyphenyl)-2-propenoic acid; Spectrum_001686; 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, (E)-; KBio2_002166; Caffeic acid, cis-; 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-; 3,4-Dihydroxybenzeneacrylate; 3-(3,4-Dihydroxy phenyl)-2-propenoic acid; 4361-87-9; 3,4-Dihydroxy-trans-cinnamate; caffeicacid; AR-360/40806927; EINECS 206-361-2; 60018_FLUKA; Caffeic acid polymer; (E)-3-(3,4-dihydroxyphenyl)acrylic acid; NCGC00022654-04; ZX-AL002121; C0625_SIGMA; SDCCGMLS-0002982.P003; 3-(3,4-Dihydroxyphenyl)-2-propenoic acid, homopolymer; SPBio_001643; 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)- (9CI); NCGC00017364-03; 3-(3,4-dihydroxyphenyl)prop-2-enoic acid; AC1LU7RL; SPBio_002943; CHEBI:16433; AIDS026339; 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, homopolymer; CHEBI:17395; TNP00311; SpecPlus_000528; Prestwick0_000902; MLS000069738; 3,4-dihydroxy-cinnamic acid; 3-(3,4-Dihydroxyphenyl)propenoic acid; NCI60_004400; NSC57197; Caffeic; Lopac-C-0625; NCGC00015206-01; Caffeic acid; cis-Caffeic acid; NCGC00017364-01; (Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; C01481; 331-39-5; NCGC00015206-02; CAS-3331-39-5; 3,4-Dihydroxycinnamic acid; CHEBI:17395; (2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; TNP00311; (Z)-3-(3,4-dihydroxyphenyl)acrylic acid; Caffeate; 1- coffee acid | C9H8O4 | 180.16 g/mol | C1=CC(=C(C=C1C=CC(=O)O)O)O |
| TCMBANKIN058177 | 1,2,4-benzenetriol | C6H6O3 | 126.11 g/mol | C1=CC(=C(C=C1O)O)O | |
| TCMBANKIN058213 | kaemferol;kampferol;kaempferol;campherol | TNP00039; nchembio.2007.28-comp30; Kaempherol; 5-18-05-00251 (Beilstein Handbook Reference); Prestwick2_001098; CHEBI:28499; Prestwick1_001098; CAS-520-18-3; BRN 0304401; Flavone, 3,4',5,7-tetrahydroxy-; ST030560; MEGxp0_001283; 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-5,7,4'-Trihydroxyflavonol; C.I. 75640; Swartziol; K0133_SIGMA; kaempferol oxoanion; NCGC00016480-01; 60010_FLUKA; EINECS 208-287-6; Pelargidenon; Nimbecetin; 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4-chromenone; NSC 407289; 3,4',5,7-Tetrahydroxyflavone; HSCI1_000027; Pelargidenolon 1497; NSC407289; Robigenin; C05903; CPD1F-90; Kampferol; NSC 656277; Prestwick0_001098; 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one; Populnetin; Kampcetin; Prestwick3_001098; AIDS-001404; ZINC00137345; kaempferol ; 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-olate; 3,4′,5,7-Tetrahydroxyflavone; Rhamnolutein; NCGC00016480-02; ACon1_001867; NSC656277; 3,4′,5,7-Tetrahydroxyflavone; BSPBio_001176; SPBio_003058; Oprea1_650954; 5,7,4'-Trihydroxyflavonol; 4H-1-Benzopyran-4-one,3,5,7-trihydroxy-2-(4-hydroxyphenyl)-5,7,4'-Trihydroxyflavonol; 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)- (9CI); Campherol; 520-18-3; 3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-4H-CHROMEN-4-ONE; S00111; Trifolitin; Kampherol; AI3-36096; 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromone; Indigo yellow; Pelargidenolon; AIDS001404; nchembio718-comp14; NCGC00091036-01; Flavone, 3,4',5,7-tetrahydroxy- (7CI,8CI); CHEBI:58573; Kaemferol; Kempferol; BPBio1_001294; 3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; Rhamnolutin; 3,5,7-triOH-Flavone; KMP; CCRIS 41; 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)- | C15H10O6 | 286.24 g/mol | C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O |
| TCMBANKIN058221 | apigenin | 520-36-5; Spectrum2_000428; 10798_FLUKA; Biochem Biophys Res Comm 212: 767 (1997); CCRIS 3789; AIDS001401; apigenin-7-olate; KBioGR_002565; KBio3_002887; BSPBio_000368; 5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one; HSCI1_000221; Flavone, 4',5,7-trihydroxy-; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-; EINECS 208-292-3; A3145_SIGMA; 7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-1-benzopyran-5-olate; CHEBI:18388; IDI1_000798; NCGC00025057-04; AIDS-001401; NSC 83244; BPBio1_000406; Apigenol; 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-chromenone; NINDS_000798; NCGC00015049-02; 4′,5,7-Trihydroxyflavone; SPBio_002307; Prestwick_719; 2-(4-hydroxyphenyl)-7-oxidanyl-4-oxidanylidene-chromen-5-olate; Spectrum4_001999; Chamomile; KBio1_000798; BRN 0262620; Prestwick2_000414; Prestwick3_000414; SDCCGMLS-0066379.P001; CHEBI:58470; 5,7, 4'-trihydroxyflavone; NCGC00025057-02; 2-(p-Hydroxyphenyl)-5,7-dihydroxychromone; 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; APIGENIN; Lopac0_000065; K00045; 4′,5,7-Trihydroxyflavone; 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-benzopyrone; NCGC00025057-09; 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one; ACon1_002450; Oprea1_622293; EU-0100065; nchembio790-comp26; 4',5,7-Trihydroxyflavone; NCGC00025057-08; ND-9076; NCGC00025057-01; MEGxp0_000176; Apigenin; 4',5,7-Trihydroxyflavone; apigenin ; Prestwick1_000414; NCGC00015049-01; ZINC00004495; NCGC00025057-05; Spectrum3_001882; BiomolKI_000078; NCI60_041830; Bio1_001354; ghl.PD_Mitscher_leg0.1194; SPECTRUM200846; A828903; DivK1c_000798; 5-18-04-00574 (Beilstein Handbook Reference); 5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-olate; C.I. Natural Yellow 1; 461015-54-3; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)- (9CI); 5,7-dihydroxy-2-(4-hydroxyphenyl)chromone; SMP2_000338; BiomolKI2_000082; Prestwick0_000414; Tocris-1227; Lopac-A-3145; Bio1_000865; NSC83244; Versulin; Pelargidenon 1449; Bio1_000376; Spigenin; 5,7,4'-Trihydroxyflavone; ST056301; UCCF 031; SPBio_000416; Apigenine; C01477; CAS-520-36-5; BSPBio_003384 | C15H10O5 | 270.24 | C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O |
| TCMBANKIN058255 | Tyrosol | NSC 59876; 4-Hydroxybenzeneethanol; P-HYDROXYPHENETHYL ALCOHOL; NSC59876; tyrosol; 56105_FLUKA; Benzeneethanol, 4-hydroxy-; 2-(4-Hydroxyphenyl)ethanol; 4-Hydroxyphenethyl alcohol; 2-(P-HYDROXYPHENYL)ETHANOL; ZINC00164581; SB 01196; 4-(2-hydroxyethyl)phenol; InChI=1/C8H10O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,9-10H,5-6H; EINECS 207-930-8; 4-Hydroxyphenylethanol; CHEBI:1879; 501-94-0; 188255_ALDRICH; 79058_FLUKA; C06044; 2-(4-hydroxyphenyl)-ethanol; 4-hydroxyphenethyl alcohol; p-hydroxyphenylethanol; p-hydroxyphenethyl alcohol; 2-(4-hydroxyphenyl)ethanol; p-hydroxyphenylethyl alcohol | C8H10O2 | 138.16 g/mol | C1=CC(=CC=C1CCO)O |
| TCMBANKIN058273 | aesculin;esculin | Esculin hydrate, >=98%; SR-01000633930; CHEBI:73111; DTXSID60583344; Esculin hydrate; SMR001562115; A-D-glucopyranoside; Esculetin-6-; CHEMBL1718108; (-)-ESCULIN HYDRATE; AKOS025310104; Esculin sesquihydrate; SCHEMBL829959; Esculin monohydrate; 7-hydroxy-2-oxo-2H-chromen-6-yl beta-D-glucopyranoside--water (1/1); FT-0625710; C15H16O9.xH2O; Esculin sesquihydrate, p.a., 98%; C15H18O10; SR-01000633930-4; SC-21492; 340.2821 (anhydrous basis); MLS002695944; Esculin hydrate, analytical standard; Esculin hydrate, >=98.0% (HPLC); BG01647212; A-7671; AS-11688; 7-Hydroxy-2-oxo-2H-1-benzopyran-6-yl beta-D-glucopyranoside--water (1/1); MFCD00149492; MolPort-003-665-735; 66778-17-4; Esculin sesquihydrate, tested according to DAB;NINDS_000956; 7-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-2-one; Spectrum3_000731; Esculoside; AIDS002655; DivK1c_000956; SPBio_000392; SMP1_000008; 7-hydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyran-2-one hydrate; KBio2_003409; 7-hydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2-chromenone; ZINC03860441; Spectrum4_001923; 2H-1-Benzopyran-2-one, 6-(.beta.-D-glucopyranosyloxy)-7-hydroxy-; Crataegin; Polychrom; 6,7-Dihydrocoumarin-6-glucoside; HMS3373P07; KBio3_001502; KBio2_005977; Esculetin 6-b-D-glucoside; SDCCGMLS-0066653.P001; Bicolorin; SPECTRUM1500901; Escosyl; KBio2_000841; Spectrum2_000576; 531-75-9; BCBcMAP01_000202; AIDS-002655; Polychrome; IDI1_000956; Esculetin 6-O-glucoside; 81320_FLUKA; Polychrome solution; KBioGR_002266; Enallachrome; Esculin; Vitamin C2; 6-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-7-oxidanyl-chromen-2-one hydrate; KBioSS_000841; Esculine; Spectrum_000361; KBio1_000956; A829428; BSPBio_002282; Spectrum5_000845; C09264; 6-(.beta.-D-Glucopyranosyloxy)-7-hydroxy-2H-1-benzopyran-2-one; 7-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one; 7-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-coumarin; STOCK1N-51823; SR-01000633930-1; 7-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-2-one | C15H16O9 | 340.28 g/mol | C1=CC(=O)OC2=CC(=C(C=C21)OC3C(C(C(C(O3)CO)O)O)O)O |
| TCMBANKIN058319 | chrysin | NCI60_003886; AIDS-001398; NCGC00094842-05; Spectrum5_001503; 5,7-dihydroxy-2-phenyl-chromen-4-one; 5,7-dihydroxy-2-phenyl-4H-chromen-4-one; CAS-480-40-0; AIDS001398; Spectrum3_001399; KBio3_002238; 5,7-dihydroxy-2-phenylchromen-4-one; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-phenyl- (9CI); NCGC00094842-04; 5,7-dihydroxy-2-phenyl-4-chromenone; BPBio1_000746; SPBio_000766; 5-18-04-00076 (Beilstein Handbook Reference); SPBio_002897; SBB012459; KBioSS_000725; SPECTRUM1500709; BSPBio_003018; KBio2_000725; chrysin ; Prestwick2_000889; 5,7-dihydroxyflavone; Spectrum4_000780; FLAVONE, 5,7-DIHYDROXY-; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-phenyl-; Spectrum_000245; Spectrum2_000753; KBio2_003293; 5,7-diOH-Flavone; SDCCGMLS-0066586.P001; KBio1_000614; NCGC00016456-01; SPECTRUM1505144; IDI1_000614; EINECS 207-549-7; Oprea1_045160; SMP1_000070; Prestwick3_000889; Chrysine; KBio2_005861; Prestwick1_000889; 5,7-Dihydroxy-2-phenyl-4H-benzo(b)pyran-4-one; S00112; NCGC00094842-01; NCGC00094842-03; MEGxp0_001416; C80105_ALDRICH; DivK1c_000614; 5,7-dihydroxy-2-phenyl-chromone; KBioGR_001200; NCGC00094842-02; 5,7-Dihydroxyflavone; NINDS_000614; BSPBio_002514; 5,7-Dihydroxy-2-phenyl-4H-1-benzopyran-4-one; ZINC00057650; 480-40-0; ACon1_000087; 27214_FLUKA; C10028; NSC 407436; BRN 0233276; Prestwick0_000889; NSC407436; BSPBio_000678; Chrysin; 5,7-dihydroxyflavone | C15H10O4 | 254.24 g/mol | C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O |
| TCMBANKIN058362 | PANA | .alpha.-Phenylnaphthylamine; WLN: L66J BMR; Vulkanox PAN; N-Phenyl-1-naphthylamine; NCGC00091327-02; AI3-00528; NCGC00091327-01; N-phenylnaphthalen-1-amine; NSC2622; alpha-Naphthylphenylamine; Aceto pan; N-Phenylnaphthalenamine; Nonox A; 1-Anilinonaphthalene; Phenylnaphthylamine; 28258-64-2; HSDB 7232; Phenyl-.alpha.-naphthylamine; BRN 2211174; 90-30-2; 1-Naphthylamine, N-phenyl-; Phenyl-1-naphthylamine; N-phenyl-1-naphthalenamine; C.I. 44050; C14405; EINECS 201-983-0; N-Fenyl-1-aminonaftalen [Czech]; 205526-65-4; SBB000591; ZINC01513833; Antioxidant PAN; Neozone A; .alpha.-Naphthylphenylamine; 104043_ALDRICH; N-Phenyl-.alpha.-naphthylamine; 1-naphthyl-phenyl-amine; Additin 30; N-(1-Naphthyl)aniline; Amoco 32; N-Phenyl-alpha-naphthylamine; Antigene PAN; 219315-45-4; Naphthalenamine, N-phenyl-; NSC 2622; CCRIS 4701; N-1-Naphthylaniline; Fenyl-alpha-naftylamin [Czech]; 4-12-00-03015 (Beilstein Handbook Reference); 1-Naphthalenamine, N-phenyl-; InChI=1/C16H13N/c1-2-9-14(10-3-1)17-16-12-6-8-13-7-4-5-11-15(13)16/h1-12,17; 1-naphthalenamine,n-phenyl- | C16H13N | 219.28 g/mol | C1=CC=C(C=C1)NC2=CC=CC3=CC=CC=C32 |
| TCMBANKIN058483 | shikimicacid | shikimic acid; Shikimate | C7H10O5 | 174.15 g/mol | C1C(C(C(C=C1C(=O)O)O)O)O |
| TCMBANKIN058486 | Heriguard | Cyclohexanecarboxylic acid, 3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, [1S-(1alpha,3beta,4alpha,5alpha)]-; Chlorogenic acid (8CI); Cyclohexanecarboxylic acid, 3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, [1S-(1.alpha.,3.beta.,4.alpha.,5.alpha.)]-; SDCCGMLS-0066467.P001; 202650-88-2; ACon1_000581; (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]-1,4,5-trihydroxy-1-cyclohexanecarboxylic acid; NSC407296; C00852; [1S-(1alpha,3beta,4alpha,5alpha)]-3-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid; Chlorogenic acid hemihydrate; Spectrum5_000733; (1S,3R,4R,5R)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexane-1-carboxylic acid; 3-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]oxy] 1,4,5-trihydroxycyclohexanecarboxylic acid; CHEBI:16112; C12209; Prestwick0_000427; CCRIS 1400; Prestwick3_000427; (1S,3R,4R,5R)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxy-cyclohexane-1-carboxylic acid; EINECS 206-325-6; Cyclohexanecarboxylic acid, 3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, (1S,3R,4R,5R)-; Prestwick2_000427; 3-Caffeoylquinic acid; BSPBio_000414; DivK1c_007053; KBio1_001997; BPBio1_000456; (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid; SMP1_000066; KBio2_002354; KBio2_004922; AIDS-012116; C3878_SIGMA; Caffeoyl quinic acid; SPECTRUM210800; (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)acryloyl]oxy-1,4,5-trihydroxy-cyclohexane-1-carboxylic acid; 25700_FLUKA; trans-5-O-Caffeoyl-D-quinate; 1,3,4,5-tetrahydroxycyclohexanecarboxylic acid 3-(3,4-dihydroxycinnamate); SPBio_001836; BSPBio_003353; KBio3_002855; (1S,3R,4R,5R)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexanecarboxylic acid; BB_NC-1939; NSC70861; NSC 407296; Chlorogenic acid; Chlorogenate; Cyclohexanecarboxylic acid, 3-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-1,4,5-trihydroxy-, (1S-(1-alpha,3-beta,4-alpha,5-alpha))-; Spectrum3_001797; 1,3,4,5-Tetrahydroxycyclohexanecarboxylic acid 3-(3,4-dihydroxycinnamate; Spectrum2_001898; AIDS012116; Spectrum_001846; 3-O-Caffeoylquinic acid; SPBio_002353; KBio2_007490; 5-O-(3,4-Dihydroxycinnamoyl)-L-quinic acid; cyclohexanecarboxylic acid, 3-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, (1S,3R,4R,5R)-; Prestwick_112; KBioSS_002357; NSC 70861; 3-(3,4-Dihydroxycinnamoyl)quinic acid; Prestwick1_000427; Hlorogenic acid; (1S,3R,4R,5R)-3-[3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]-1,4,5-trihydroxy-1-cyclohexanecarboxylic acid; (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxy-cyclohexane-1-carboxylic acid; [1S-(1alpha,3beta,4alpha,5alpha)]3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid; SpecPlus_000957; (1S,3R,4R,5R)-3-[3-(3,4-dihydroxyphenyl)acryloyl]oxy-1,4,5-trihydroxy-cyclohexane-1-carboxylic acid; 3-O-(3,4-Dihydroxycinnamoyl)-D-quinic acid; 327-97-9; Chlorogenic acid (8CI); (+)-Chlorogenic acid; ZINC2138728; AJ-33519; SDCCGMLS-0066467.P001; 3-(3,4-Dihydroxycinnamoyl)quinate; Hoodia Chinese Extract; [1S-(1alpha,3beta,4alpha,5alpha)]-3-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid; NCGC00168941-03; AK-49688; CCRIS 1400; 3-CQ; 3-Caffeoylquinic acid; (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxy-cyclohexanecarboxylic acid; BPBio1_000456; Chlorogenic acid (constituent of echinacea angustifolia root, echinacea pallida root, echinacea purpurea root and echinacea purpurea aerial parts) [DSC]; 3-[3-(3,4-Dihydroxy-phenyl)-acryloyloxy]-1,4,5-trihydroxy-cyclohexanecarboxylic acid; UNII-318ADP12RI; 5-Caffeoylquinic acid; BB_NC-1939; (1S,3R,4R,5R,E)-3-(3-(3,4-dihydroxyphenyl)acryloyloxy)-1,4,5-trihydroxycyclohexanecarboxylic acid; CHLOROGENIC ACID; Cyclohexanecarboxylic acid, 3-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-1,4,5-trihydroxy-, (1S,3R,4R,5R)-; 3-O-Caffeoylquinic acid; Caffetannic acid; Chlorogenic acid [MI]; ALBB-030169; 202650-88-2; CCG-38471; Cyclohexanecarboxylic acid, 3-(((2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl)oxy)-1,4,5-trihydroxy-, (1S,3R,4R,5R)-; C00852; trans-5-O-Caffeoylquinic acid; HMS1923C11; MLS002153805; trans-5-O-caffeoyl-D-quinate; MolPort-035-394-873; CHEBI:16112; 3-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]oxy] 1,4,5-trihydroxycyclohexanecarboxylic acid; SMR000857273; Prestwick2_000427; Chlorogenic acid [WHO-DD]; SR-01000946600-1; Chlorogenic acid, European Pharmacopoeia (EP) Reference Standard; MCULE-8135887819; SR-01000841185; ACT03375; SPECTRUM210800; edit(1S,3R,4R,5R)-3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid; SR-01000946600; (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylicacid; PubChem13036; 3-[(E)-3-(3,4-Dihydroxy-phenyl)-acryloyloxy]-1,4,5-trihydroxy-cyclohexanecarboxylic acid; Chlorogenate; AC1LX54Y; (1S,3R,4R,5R)-3-[(E)-3-(3,4-DIHYDROXY-PHENYL)-ACRYLOYLOXY]-1,4,5-TRIHYDROXY-CYCLOHEXANECARBOXYLIC ACID; Chlorogenic?acid; Quinic acid, 3-caffeoyl-, E-; NCGC00168941-01; AC-6032; AKOS015955866; 32CF6D13-8F08-485F-B79E-F8A6AC318E07; (1S,3R,4R,5R)-3-((E)-3-(3,4-dihydroxyphenyl)acryloyloxy)-1,4,5-trihydroxycyclohexanecarboxylic acid; Cyclohexanecarboxylic acid, 3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, [1S-(1alpha,3beta,4alpha,5alpha)]-; (1S,3R,4R,5R)-3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid; TL8001703; [1S-(1alpha,3beta,4alpha,5alpha)]3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid; NSC-407296; 3-O-(3,4-Dihydroxycinnamoyl)-D-quinic acid; Chlorogenic acid, United States Pharmacopeia (USP) Reference Standard; Hlorogenate; 3-trans-Caffeoylquinic acid; BG00688012; ACon1_000581; Chlorogenic acid, Chiral; HMS2235F03; NSC407296; J10338; ST2419179; Quinic acid, 5-caffeoyl-; CC-919; 318ADP12RI; Prestwick3_000427; EINECS 206-325-6; NCGC00168941-02; 3-o-caffeoylquinic acid ; CHEBI:95271; BIDD:ER0453; (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid; 327C979; 3-Caffeoylquinate; HY-N0055; 1,3,4,5-tetrahydroxycyclohexanecarboxylic acid 3-(3,4-dihydroxycinnamate); NSC70861; (1S,3R,4R,5R)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexanecarboxylic acid; Cyclohexanecarboxylic acid, 3-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-1,4,5-trihydroxy-, (1S-(1-alpha,3-beta,4-alpha,5-alpha))-; CHEMBL284616; CWVRJTMFETXNAD-JUHZACGLSA-N; 5-CQA; NSC 70861; (1S,3R,4R,5R)-3-(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4,5-trihydroxycyclohexane-1-carboxylic acid; bmse000387; Hlorogenic acid; LS-1202; SCHEMBL19466; (1R,3S,4S,5S)-3-[(E)-3-(3,4-Dihydroxy-phenyl)-acryloyloxy]-1,4,5-trihydroxy-cyclohexanecarboxylic acid; MolPort-001-740-212; Chlorogenic acid (constituent of st. john's wort) [DSC]; RL03176; Chlorogenic acid, primary pharmaceutical reference standard; AS-12284; MFCD00003862; 3-CQA; NSC-70861; Spectrum5_000733; D02HCQ; DB12029; SR-01000841185-4; HMS2096E16; s2280; Cyclohexanecarboxylic acid, 3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, (1S,3R,4R,5R)-; SC-13943; HMS3649E06; Chlorogenic acid, >=95% (titration); I04-11738; 5-caffeoyl quinic acid; 3-O-caffeoyl quinic acid; CS-3766; Caffeoyl quinic acid; Chlorogenicacid; BSPBio_003353; BDBM50327036; BC202916; NSC 407296; HMS1569E16; caffeoylquinic acid; CP chlorogenic acid; 1,3,4,5-Tetrahydroxycyclohexanecarboxylic acid 3-(3,4-dihydroxycinnamate; 3-O-caffeoyl-D-quinic acid; trans-Caffeic acid 5-o-D-quinate; (1S,3R,4R,5R)-3-(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4,5-trihydroxycyclohexanecarboxylic acid; Heriguard; 5-O-(3,4-Dihydroxycinnamoyl)-L-quinic acid; cyclohexanecarboxylic acid, 3-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, (1S,3R,4R,5R)-; Prestwick_112; 3-(3,4-Dihydroxycinnamoyl)quinic acid; BRD-K47114202-001-06-2; D54CAE3D-CDDA-455D-A28E-77FC9EFE4A43; BSPBio_000414; 327-97-9; CC0158; K-7597; 3-o-caffeoylquinic acid; caffetannic acid;caffeoylquinic acid ; 3- caffeoylquinic acid; 4-o-caffeoyl-d-quinic acide; [3-4] Chlorogenic acid; Chlorgenic acid; 4-o-caffeoyl-d-quinic acide; 5-caffeoylquinic acid; isochlorogenic acid; 5-Dicaffeoylquinic acid; isochlorogenic acid a; 5-o-caffeoylquinic acid; (1R,3R,4S,5R)-3-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexanecarboxylic acid; (1R,3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxy-cyclohexane-1-carboxylic acid; 5-o-caffeoylquinic acid ; 5-Caffeylquinic acid; trans-5-O-caffeoyl-D-quinic acid; 5- O- caffeoylquinicacid; (1R,3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid; ACon1_000392; 5- o -caffeoylquinic acid; (1R,3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]-1,4,5-trihydroxy-1-cyclohexanecarboxylic acid; 1D-[1(OH),3,4/5]-3-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexanecarboxylic acid; 906-33-2; Cyclohexanecarboxylic acid, 3-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-1,4,5-trihydroxy-, (1R-(1alpha,3alpha,4alpha,5beta))-; (1R,3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)acryloyl]oxy-1,4,5-trihydroxy-cyclohexane-1-carboxylic acid; (1R-(1alpha,3alpha,4alpha,5beta))-3-((3-(3,4-Dihydroxyphenyl)-1-oxoallyl)oxy)-1,4,5-trihydroxycyclohexanecarboxylic acid; CHEBI:16384; EINECS 212-997-1; 3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid; BIB6027; 3-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid; NSC-407297; AKOS022146313; neochlorogenicacid; CWVRJTMFETXNAD-DUXPYHPUSA-N; BDBM153327; 3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxy-cyclohexanecarboxylic acid; 5-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,3,4-trihydroxycyclohexanecarboxylic acid; neo-chlorogenic,acid; 3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid; STL377917; 5-caffeoylquinic acid; neo-chlorogenic acid; NSC407297; ZX-AT010530; Isochlorogenic acid; 5-O-caffeoyl quinic acid; 5Z-Caffeoylquinic acid; AC1NSTIZ; BBL028113; OR1166; BPH-1068; 534-61-2; SCHEMBL1228850; MolPort-001-759-169; neochlorogenic acid; 3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexanecarboxylic acid; Neochlorogenic acid; isochlorogenic acid; isochlorogenicacid; ZINC3947476; NCGC00142471-01; NCGC00017241-02; AKOS025402181; CHEMBL1552319; AC-6051; chorogenic acid; 1,3-caffeoylquinic acid | C16H18O9 | 354.31g/mol | C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O |
| TCMBANKIN058488 | 4,5-Di-O-caffeoylquinic acid | AIDS028063; 3,4-DCQA; 3,4-Bis[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,5-dihydroxycyclohexanecarboxylic acid; (1R,3R,4S,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxy-cyclohexane-1-carboxylic acid; (1R,3R,4S,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylic acid; (4S,1R,3R,5R)-3,4-Bis[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,5-dihydroxycyclohexanecarboxylic acid; 4,5-DCQA; (1R,3R,4S,5R)-3,4-bis[(E)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]-1,5-dihydroxy-1-cyclohexanecarboxylic acid; AIDS-028061; AIDS028061; (1R,3R,4S,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)acryloyl]oxy]-1,5-dihydroxy-cyclohexane-1-carboxylic acid; 4,5-di-O-caffeoyl quinic acid; AIDS-028063; 4,5-di-O-caffeoylquinic acid; ACon1_000313;3,4-di-o-caffeoylquinic acid;Isochlorogenic acid C;3,4-di-O-caffeoyl quinic acid; 3,4-di-o-caffeoylquinicacid; 3,4-di-O-caffeoylquinic acid;isochlorogenic acid C | C25H24O12 | 516.45 | C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O |
| TCMBANKIN058490 | 1,4-di-o-caffeoylquinic acid;1,4-dicaffeoylquinic acid | 1,4-di-O-caffeoylquinic acid; 1,4-di-o-caffeoylquinicacid | C25H24O12 | 516.4 g/mol | C1C(C(C(CC1(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O |
| TCMBANKIN058551 | Geniposidic acid | geniposidicacid; 27741-01-1; geniposidic acid; (1S,4aS,7aS)-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylic acid; (1S,4aS,7aS)-7-(hydroxymethyl)-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylic acid; (1S,4aS,7aS)-7-methylol-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylic acid; (1S,4aS,7aS)-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylic acid; 27932-72-5; C11673; Cyclopenta(c)pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-7-(hydroxymethyl)-, (1S-(1alpha,4aalpha,7aalpha))-; Cyclopenta(c)pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-7-(hydroxymethyl)-, (1S,4aS,7aS)-,Geniposidic,Genioisidic acid | C16H22O10 | 374.34 | C1C=C(C2C1C(=COC2OC3C(C(C(C(O3)CO)O)O)O)C(=O)O)CO |
| 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 |
| TCMBANKIN058739 | crocetin | 2,4,6,8,10,12,14-Hexadecaheptaenedioic acid, 2,6,11,15-tetramethyl-, (all-E)- (8CI); C08588; (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate; AIDS-073359; 2,4,6,8,10,12,14-Hexadecaheptaenedioic acid, 2,6,11,15-tetramethyl-;.alpha.-Crocetin; 8,8'-diapo-8,8'-carotenedioate; 8,8'-diapo-psi,psi-carotenedioate; AIDS073359; 2,4,6,8,10,12,14-Hexadecaheptaenedioic acid, 2,6,11,15-tetramethyl-,(all-E)-; Crocetin; 27876-94-4; crocetin(2-); 8,8'-Diapocarotenedioic acid; NCI60_003871; 2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid; LMPR01070223; CHEBI:62767; (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid; 8,8'-Diapo-psi,psi-carotenedioic acid; EINECS 248-708-0; CCRIS 7484; Natural yellow 6; NSC 407300; CI 75100; 8,8'-diapocarotene-8,8'-dioate; 8,8'-diapocarotenedioate; crocetin dianion; α-crocetin | C20H24O4 | 328.4 | CC(=CC=CC=C(C)C=CC=C(C)C(=O)O)C=CC=C(C)C(=O)O |
| TCMBANKIN058740 | dimethylcrocetin | 5892-54-6; MolPort-039-144-965; trans-Crocetin, dimethyl ester; UNII-604TT10Y72; gamma-Crocetin; (13Z)-8,8'-Diapo-psi,psi-carotene-8,8'-dioic acid 8,8'-dimethyl ester; SCHEMBL12192819; Dimethylcrocetin; 2,4,6,8,10,12,14-Hexadecaheptaenedioic acid, 2,6,11,15-tetramethyl-, 1,16-dimethyl ester, (2E,4E,6E,8E,10E,12E,14E)-; ZINC33830370; crocetin dimethyl ester; AC1NSTX1; dimethyl (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate; 604TT10Y72; Crocetin dimethyl ester [MI]; Crocetin dimethyl ester;crocetin dimethylester | C22H28O4 | 356.5 g/mol | CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC)C=CC=C(C)C(=O)OC |
| TCMBANKIN058741 | crocin-2 | Crocin 2 | C38H54O19 | 814.82 g/mol | CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)C=CC=C(C)C(=O)OC3C(C(C(C(O3)CO)O)O)O |
| TCMBANKIN058742 | 13-cis-crocetin di(β-Dgentiobiosyl)ester;alpha-crocin;crocin-1;crocin I;crocetin di(β-D-gentiobiosyl)ester;crocin | CAS-42553-65-1; Crocin; 42553-65-1; 877GWI46C2; Bis(6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl) 1,1'-((2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethyl-2,4,6,8,10,12,14-hexadecaheptaenedioate); Bis(6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl) 8,8'-diapo-psi,psi-carotenedioate; crocin-1; crocetin di-gentiobiose ester; Tox21_111837; DTXSID7046172; CHEBI:79068; I07-0227; C.I. 75100; SCHEMBL1463936; DSSTox_RID_81403; Crocine; bis[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate; Gardenia Yellow; BRN 6473367; crocetin digentiobioside; 1329-79-9; bis[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}methyl)tetrahydro-2H-pyran-2-yl] (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate; MolPort-039-052-298; Crocin 1; crocetin di-beta-D-gentiobiose ester; 1160167-03-2; NCGC00160471-01; all-trans-Crocetin di-beta-D-gentiobiosyl ester; crocetin digentiobiosyl ester; HSDB 8211; DSSTox_CID_1457; CrocinI; AC1NQY8I; F32BA2H92Z; Natural red 1; 53178-29-3; 94238-00-3; trans-Crocetin di(beta-D-gentiobiosyl) ester; 39465-00-4; CCRIS 7705; N1661; LS-71090; DSSTox_GSID_46172; CCRIS 678; LS-59589; Natural yellow 19; 52841-81-3; beta-D-Glucopyranose, 6-O-beta-D-glucopyranosyl-, 1,1'-((2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethyl-2,4,6,8,10,12,14-hexadecaheptaenedioate); bis(beta-D-gentiobiosyl) crocetin; N1889; DB11874; Crocin-I; LS-190763; N1653; 11012-59-2; EINECS 254-465-1; ZINC245224178; Saffron (JP15); C08589; CHEMBL446785; EINECS 255-881-6; AKOS015896765; Crocetin digentiobiose ester; BDBM50260195; alpha-Crocin; UNII-877GWI46C2; Crocin A; Crocetin Di(Beta-Gentiobiosyl)Ester; All-trans-crocetin di-beta-delta-gentiobiosyl ester; trans-crocetin bis(beta-D-gentiobiosyl) ester; bis(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate; 8,8'-Diapo-psi,psi-carotenedioic acid, bis(6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl) ester; Crocin I; Crocetin bis(gentiobiosyl) ester; UNII-F32BA2H92Z;Crocin; 42553-65-1; Bis(6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl) 8,8'-diapo-psi,psi-carotenedioate; (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid bis[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl] ester; bis[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate; Gardenia Yellow; BRN 6473367; 1329-79-9; Crocin 1; MolPort-044-724-359; NCGC00160471-01; all-trans-Crocetin di-beta-D-gentiobiosyl ester; AK160292; Saffron; 53178-29-3; 94238-00-3; BG00599755; 52841-81-3; CCRIS 678; (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid bis[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxymethyl]-2-tetrahydropyranyl] ester; beta-D-Glucopyranose, 6-O-beta-D-glucopyranosyl-, 1,1'-((2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethyl-2,4,6,8,10,12,14-hexadecaheptaenedioate); AKOS024462610; 11012-59-2; bis[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl] (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate; (2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-({[(2R,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}METHYL)OXAN-2-YL (3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-({[(2R,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}METHYL)OXAN-2-YL (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-TETRAMETHYLHEXADECA-2,4,6,8,10,12,14-HEPTAENEDIOATE; C08589; EINECS 255-881-6; Crocetin digentiobiose ester; alpha-Crocin; 8,8'-Diapo-psi,psi-carotenedioic acid, bis(6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl) ester; Crocetin bis(gentiobiosyl) ester | C44H64O24 | 976.96g/mol | CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)C=CC=C(C)C(=O)OC3C(C(C(C(O3)COC4C(C(C(C(O4)CO)O)O)O)O)O)O |
| TCMBANKIN058837 | Supraene | trans-Squalene; SQUALENE; 94016-35-0; 2,6,10,14,18,22-Tetracosahexaene, 2,6,10,15,19,23-hexamethyl-; (E,E,E,E)-Squalene; InChI=1/C30H50/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h15-18,23-24H,9-14,19-22H2,1-8H3/b27-17+,28-18+,29-23+,30-24; 442785_SUPELCO; Squalene, Spinacene, Supraene; AIDS-017396; 2,6,10,15,19,23-Hexamethyltetracosa-2,6,10,14,18,22-hexaene; 2,6,10,15,19,23-Hexamethyl-2,6,10,14,18,22-tetracosahexaene; All-trans-Squalene; 111-02-4; EINECS 203-826-1; (14E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene; 2,6,10,14,18,22-Tetracosahexaene, 2,6,10,15,19,23-hexamethyl-,; S3626_SIGMA; 7683-64-9; CHEBI:15440; 2,6,10,14,18,22-tetracosahexaene, 2,6,10,15,19,23-hexamethyl-, (6E,10E,14E,18E)-; 2,6,10,15,19,23-Hexamethyltetracosa-(2E,6E,10E,14E,18E,22E)-2,6,10,14,18,22-hexaene; AIDS017396; Spinacene; C00751; NSC93748; (all-E)-2,6,10,15,19,23-hexamethyl-2,6,10,14,18,22-tetracosahexaene; LMPR01060008; 2,6,10,14,18,22-Tetracosahexaene, 2,6,10,15,19,23-hexamethyl-, (all-E)-; CCRIS 711; (6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene;squalene | C30H50 | 410.72 | CC(=CCCC(=CCCC(=CCCC=C(C)CCC=C(C)CCC=C(C)C)C)C)C |
| TCMBANKIN058906 | imperatorin | HY-N0285; I06-0320; 9-[(3-METHYL-2-BUTEN-1-YL)OXY]-7H-FURO[3,2-G][1]BENZOPYRAN-7-ONE; BDBM50308719; 7H-Furo[3,2-g][1]benzopyran-7-one, 9-[(3-methyl-2-buten-1-yl)oxy]-; SpecPlus_000755; DSSTox_CID_28663; Imperatorin, European Pharmacopoeia (EP) Reference Standard; EINECS 207-581-1; ZB000436; KBio2_006371; SMR000156241; 9-[(3-Methyl-2-butenyl)oxy]-7H-furo[3,2-g]chromen-7-one #; AI3-61725; AC1L1UPZ; 9-(3-methylbut-2-enyloxy)furano[3,2-g]chromen-2-one; NCGC00095209-04; 7H-Furo[3,2-g][1]benzopyran-7-one, 9-((3-methyl-2-butenyl)oxy)-; KBio1_001795; 9-(3-methylbut-2-enoxy)-7-furo[3,2-g][1]benzopyranone; 8-isopent-2-enyloxy-6,7-furanocoumarin; Marmelide; ACon1_001117; 6-Hydroxy-7-(3-methyl-2-butenyloxy)-5-benzofuranacrylic acid omega-lactone; (9-[(3-methyl-2-buten-1-yl)oxy]-7H-furo[3,2-g][1]benzopyran-7-one); 9-[(3-Methyl-2-butenyl)oxy]-7H-furo[3,2-g][1]benzopyran-7-one, 9CI; Pentasalen, BAN; AC-8046; 9-[(3-methylbut-2-en-1-yl)oxy]-7H-furo[3,2-g]chromen-7-one; 7H-Furo[3,2-g][1]benzopyran-7-one,9-[(3-methyl-2-buten-1-yl)oxy]-; Marmelosin; NCGC00095209-01; CAS-482-44-0; InChI=1/C16H14O4/c1-10(2)5-7-19-16-14-12(6-8-18-14)9-11-3-4-13(17)20-15(11)16/h3-6,8-9H,7H2,1-2H; 8-isopentenyloxypsoralen; Bio-0346; AN-8400; 5-Benzofuranacrylic acid, 6-hydroxy-7-((3-methyl-2-butenyl)oxy)-, delta-lactone; DivK1c_006851; 5-Benzofuranacrylic acid, 6-hydroxy-7-((3-methyl-2-butenyl)oxy)-, .delta.-lactone; CCG-38649; LS-70737; 9-(3-Methylbut-2-enyloxy)furo(3,2-g)chromen-7-one; ST45000841; HMS3354E04; SR-01000721772-2; 9-((3-methylbut-2-en-1-yl)oxy)-7H-furo[3,2-g]chromen-7-one; 9-(3-Methylbut-2-enyloxy)-7H-furo(3,2-g)chromen-7-one; KBio3_001050; 9-[(3-Methyl-2-butenyl)-oxy]-7H-furo[3,2-g][1][benzopyran-7-one; 9-[(3-methyl-2-butenyl)oxy]-7H-furo[3,2-g][1] benzopyran-7-one; NCGC00095209-06; Spectrum_000755; KBioGR_001864; HMS3261C08; Pentosalen; OLOOJGVNMBJLLR-UHFFFAOYSA-N; CTK5J8942; WLN: T C566 DO LVOTJ BO2UY1&1; C-16983; NCGC00095209-02; A827504; 9-[(3-methylbut-2-en-1-yl)oxy]-2H-furo[3,2-g]chromen-2-one; SPECTRUM102076; NSC402949; Imperatorin, >=98% (HPLC), powder; MEGxp0_000089; Marmelosin, analytical standard; NCGC00095209-03; FT-0603414; 9-[(3-Methylbut-2-enyl)oxy]-7H-furo[3,2-g][1]benzopyran-7-one; imperatorin ; 7H-Furo[3, 9-[(3-methyl-2-butenyl)oxy]-; 8-(3-Methyl-2-butenyloxy)psoralen; KBioSS_001235; K713N25C78; 7H-Furo[3,2-g][1]benzopyran-7-one, 9-[(3-methyl-2-butenyl)oxy]-; SDCCGMLS-0066373.P001; 9-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one; SCHEMBL50437; Tox21_500413; N1859; Spectrum2_000376; 9-[(3-methyl-2-buten-1-yl)oxy]-7H-furo[3,2-g]chromen-7-one; MFCD00016881; MLS000574838; KBio2_001235; LP00413; API0002987; 9-(3-Methyl-2-butenyloxy)-7-oxofuro[3,2-g]chromene; Pentosalen [BAN]; Ammidin; Spectrum5_000244; DTXSID8048737; DSSTox_GSID_48737; 8-Prenyloxypsoralen; HSDB 3497; BG01563273; 8-Isoamylenoxypsoralen; NSC 402949; CHEMBL453805; CC-29497; Enoxypsoralen; 5-hydroxy-8-(1,1-dimethylallyl)psoralen; NSC-402949; 8-Isopentenyloxypsoralene; 9-(3-Methylbut-2-enyloxy)furo[3,2-g]chromen-7-one; Q-100532; I0904; 9-((3-Methyl-2-butenyl)oxy)-7H-furo(3,2-g)(1)benzopyran-7-one; 482-44-0; DSSTox_RID_82933; UNII-K713N25C78; TR-036857; W1274; Tox21_113179; NCGC00169661-02; IMPERATORIN; ZINC1904; HMS2218G08; SR-01000721772; Tox21_113179_1; SPBio_000531; CS-5800; KBio2_003803; MCULE-3248623364; Spectrum3_000145; HMS1922N22; CCRIS 4346; C09269; SC-16643; NCGC00095209-05; 482I440; NCGC00261098-01; NCGC00169661-01; MolPort-000-881-264; Oprea1_407817; AKOS000277029; Spectrum4_001422; 9-[(3-methyl-2-butenyl)oxy]-7H-furo[3,2-g]-1-benzopyran-7-one; D09ROW; CHEBI:5885; CI0030; 7H-Furo(3,2-g)(1)benzopyran-7-one, 9-((3-methyl-2-butenyl)oxy)-; 70102-00-0; BSPBio_001850; AIDS071128; MLS000574838; ZINC00001904; 9-(3-Methylbut-2-enyloxy)-7H-furo(3,2-g)chromen-7-one; KBio3_001050; SpecPlus_000755; Spectrum_000755; KBioGR_001864; KBio2_001235; EINECS 207-581-1; Pentosalen; SPBio_000531; KBio2_006371; SMR000156241; WLN: T C566 DO LVOTJ BO2UY1&1; Spectrum5_000244; KBio2_003803; AI3-61725; Spectrum3_000145; NCGC00095209-02; 9-(3-methylbut-2-enoxy)-7-furo[3,2-g]chromenone; CCRIS 4346; Imperatorin; 7H-Furo[3,2-g][1]benzopyran-7-one, 9-((3-methyl-2-butenyl)oxy)-; SPECTRUM102076; HSDB 3497; C09269; AIDS-071128; KBio1_001795; 8-Isoamylenoxypsoralen; NSC 402949; NSC402949; MEGxp0_000089; ACon1_001117; 6-Hydroxy-7-(3-methyl-2-butenyloxy)-5-benzofuranacrylic acid omega-lactone; 8-Isopentenyloxypsoralene; 9-(3-Methylbut-2-enyloxy)furo[3,2-g]chromen-7-one; 9-[(3-methylbut-2-en-1-yl)oxy]-7H-furo[3,2-g]chromen-7-one; KBioSS_001235; 9-((3-Methyl-2-butenyl)oxy)-7H-furo(3,2-g)(1)benzopyran-7-one; Oprea1_407817; 482-44-0; Spectrum4_001422; Marmelosin; NCGC00095209-01; SDCCGMLS-0066373.P001; InChI=1/C16H14O4/c1-10(2)5-7-19-16-14-12(6-8-18-14)9-11-3-4-13(17)20-15(11)16/h3-6,8-9H,7H2,1-2H; 9-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one; ST5308976; 7H-Furo[3,2-g][1]benzopyran-7-one, 9-[(3-methyl-2-butenyl)oxy]-; 5-Benzofuranacrylic acid, 6-hydroxy-7-((3-methyl-2-butenyl)oxy)-, delta-lactone; 5-Benzofuranacrylic acid, 6-hydroxy-7-[(3-methyl-2-butenyl)oxy]-, .delta.-lactone; DivK1c_006851; Spectrum2_000376; 7H-Furo(3,2-g)(1)benzopyran-7-one, 9-((3-methyl-2-butenyl)oxy)-; 9-(3-Methylbut-2-enyloxy)furo(3,2-g)chromen-7-one; 70102-00-0; BSPBio_001850; HY-N0285; I06-0320; 9-[(3-METHYL-2-BUTEN-1-YL)OXY]-7H-FURO[3,2-G][1]BENZOPYRAN-7-ONE; BDBM50308719; 7H-Furo[3,2-g][1]benzopyran-7-one, 9-[(3-methyl-2-buten-1-yl)oxy]-; SpecPlus_000755; DSSTox_CID_28663; Imperatorin, European Pharmacopoeia (EP) Reference Standard; EINECS 207-581-1; ZB000436; KBio2_006371; SMR000156241; 9-[(3-Methyl-2-butenyl)oxy]-7H-furo[3,2-g]chromen-7-one #; AI3-61725; AC1L1UPZ; 9-(3-methylbut-2-enyloxy)furano[3,2-g]chromen-2-one; NCGC00095209-04; 7H-Furo[3,2-g][1]benzopyran-7-one, 9-((3-methyl-2-butenyl)oxy)-; KBio1_001795; 9-(3-methylbut-2-enoxy)-7-furo[3,2-g][1]benzopyranone; Marmelide; ACon1_001117; 6-Hydroxy-7-(3-methyl-2-butenyloxy)-5-benzofuranacrylic acid omega-lactone; (9-[(3-methyl-2-buten-1-yl)oxy]-7H-furo[3,2-g][1]benzopyran-7-one); 9-[(3-Methyl-2-butenyl)oxy]-7H-furo[3,2-g][1]benzopyran-7-one, 9CI; Pentasalen, BAN; AC-8046; 9-[(3-methylbut-2-en-1-yl)oxy]-7H-furo[3,2-g]chromen-7-one; 7H-Furo[3,2-g][1]benzopyran-7-one,9-[(3-methyl-2-buten-1-yl)oxy]-; Marmelosin; NCGC00095209-01; CAS-482-44-0; InChI=1/C16H14O4/c1-10(2)5-7-19-16-14-12(6-8-18-14)9-11-3-4-13(17)20-15(11)16/h3-6,8-9H,7H2,1-2H; 8-isopentenyloxypsoralen; Bio-0346; AN-8400; 5-Benzofuranacrylic acid, 6-hydroxy-7-((3-methyl-2-butenyl)oxy)-, delta-lactone; DivK1c_006851; 5-Benzofuranacrylic acid, 6-hydroxy-7-((3-methyl-2-butenyl)oxy)-, .delta.-lactone; CCG-38649; LS-70737; 9-(3-Methylbut-2-enyloxy)furo(3,2-g)chromen-7-one; ST45000841; HMS3354E04; SR-01000721772-2; 9-((3-methylbut-2-en-1-yl)oxy)-7H-furo[3,2-g]chromen-7-one; 9-(3-Methylbut-2-enyloxy)-7H-furo(3,2-g)chromen-7-one; KBio3_001050; 9-[(3-Methyl-2-butenyl)-oxy]-7H-furo[3,2-g][1][benzopyran-7-one; NCGC00095209-06; Spectrum_000755; KBioGR_001864; HMS3261C08; Pentosalen; OLOOJGVNMBJLLR-UHFFFAOYSA-N; CTK5J8942; WLN: T C566 DO LVOTJ BO2UY1&1; C-16983; NCGC00095209-02; A827504; 9-[(3-methylbut-2-en-1-yl)oxy]-2H-furo[3,2-g]chromen-2-one; SPECTRUM102076; NSC402949; Imperatorin, >=98% (HPLC), powder; MEGxp0_000089; Marmelosin, analytical standard; NCGC00095209-03; FT-0603414; 9-[(3-Methylbut-2-enyl)oxy]-7H-furo[3,2-g][1]benzopyran-7-one; 7H-Furo[3, 9-[(3-methyl-2-butenyl)oxy]-; 8-(3-Methyl-2-butenyloxy)psoralen; KBioSS_001235; K713N25C78; 7H-Furo[3,2-g][1]benzopyran-7-one, 9-[(3-methyl-2-butenyl)oxy]-; SDCCGMLS-0066373.P001; 9-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one; SCHEMBL50437; Tox21_500413; N1859; Spectrum2_000376; 9-[(3-methyl-2-buten-1-yl)oxy]-7H-furo[3,2-g]chromen-7-one; MFCD00016881; MLS000574838; KBio2_001235; LP00413; API0002987; 9-(3-Methyl-2-butenyloxy)-7-oxofuro[3,2-g]chromene; Pentosalen [BAN]; Ammidin; Spectrum5_000244; DTXSID8048737; DSSTox_GSID_48737; 8-Prenyloxypsoralen; HSDB 3497; BG01563273; 8-Isoamylenoxypsoralen; NSC 402949; CHEMBL453805; CC-29497; Enoxypsoralen; 5-hydroxy-8-(1,1-dimethylallyl)psoralen; NSC-402949; 8-Isopentenyloxypsoralene; 9-(3-Methylbut-2-enyloxy)furo[3,2-g]chromen-7-one; Q-100532; I0904; 9-((3-Methyl-2-butenyl)oxy)-7H-furo(3,2-g)(1)benzopyran-7-one; 482-44-0; DSSTox_RID_82933; UNII-K713N25C78; TR-036857; W1274; Tox21_113179; NCGC00169661-02; IMPERATORIN; ZINC1904; HMS2218G08; SR-01000721772; Tox21_113179_1; SPBio_000531; CS-5800; KBio2_003803; MCULE-3248623364; Spectrum3_000145; HMS1922N22; CCRIS 4346; C09269; SC-16643; NCGC00095209-05; 482I440; NCGC00261098-01; NCGC00169661-01; MolPort-000-881-264; Oprea1_407817; AKOS000277029; Spectrum4_001422; 9-[(3-methyl-2-butenyl)oxy]-7H-furo[3,2-g]-1-benzopyran-7-one; D09ROW; CHEBI:5885; CI0030; 7H-Furo(3,2-g)(1)benzopyran-7-one, 9-((3-methyl-2-butenyl)oxy)-; 70102-00-0; BSPBio_001850; Ammidin; imperatorine | C16H14O4 | 270.28 g/mol | CC(=CCOC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)C |
| TCMBANKIN058920 | 3-acetyl-2,6-dihydroxy-4-methoxybenzaldehyde | methyl(2,4-dihydroxy-3-formyl-6-methoxy)phenylketone; methyl(2,4-dihydroxy-3-formyl-6-methoxy)-phenylketone | C10H10O5 | 210.18 | CC(=O)C1=C(C=C(C(=C1O)C=O)O)OC |
| TCMBANKIN058923 | paeonol | CBiol_000986; 2′-Hydroxy-4′-methoxyacetophenone; KBio3_002432; SPBio_002161; InChI=1/C9H10O3/c1-6(10)8-4-3-7(12-2)5-9(8)11/h3-5,11H,1-2H; Spectrum3_001686; 1-(2-hydroxy-4-methoxy-phenyl)ethanone; paeonol ; H35803_ALDRICH; ST5331356; NCGC00095977-01; SPECTRUM1601021; AIDS-002237; AIDS002237; Resacetophenone-4-methyl ether; 2-Hydroxy-4-methoxyacetophenone; Spectrum2_001981; Paeonol; 1-(2-Hydroxy-4-methoxyphenyl)ethanone; AI3-10581; BSPBio_003212; Peonol; 4-08-00-01793 (Beilstein Handbook Reference); C10712; 1-[2-hydroxy-4-(methyloxy)phenyl]ethanone; 2-Acetyl-5-methoxy-phenol; Acetophenone, 2'-hydroxy-4'-methoxy- (7CI,8CI); NSC 401442; Paeonal; SDCCGMLS-0066845.P001; ZINC00001906; Resacetophenone, 4-O-methyl ester; Ethanone, 1-(2-hydroxy-4-methoxyphenyl)-; 4-O-Methylresacetophenone; Acetophenone, 2'-hydroxy-4'-methoxy-; 2-hydroxy-4-methoxyacetophenone; 2'-Hydroxy-4'-methoxyacetophenone; ICCB4_000282; BRN 1282794; EINECS 209-012-2; Ethanone, 1-(2-hydroxy-4-methoxyphenyl)- (9CI); 552-41-0; 2'-hydroxy-4'-methoxyacetophenone; NSC401442; KBio3_002432; Paeonol (Peonol); CHEMBL1079227; SPECTRUM1601021; AKOS000119646; RTC-067540; M-2917; UILPJVPSNHJFIK-UHFFFAOYSA-N; Resacetophenone-4-methyl ether; BBL012127; 1-(2-Hydroxy-4-methoxyphenyl)ethanone; ST45027685; 1-(2-hydroxy-4-methoxyphenyl)ethane-1-one; UNII-3R834EPI82; Resacetophenone, 4-O-methyl ester; 4CN-0677; SR-05000002397-1; EINECS 209-012-2; FT-0618875; 2-acetyl-5-methoxyphenol; Ethanone, 1-(2-hydroxy-4-methoxyphenyl)- (9CI); 552-41-0; AC1Q48VO; TRA0005840; SY013508; MCULE-2846207321; Paeonolum; 1-(2-hydroxy-4-methoxyphenyl)-ethanone; AB0044007; MolPort-001-537-637; SCHEMBL1449478; CCG-39471; AN-1408; 2;-Hydroxy-4;-methoxyacetophenone; CP0063; KSC490C8B; HMS3656E07; C10712; 1-[2-hydroxy-4-(methyloxy)phenyl]ethanone; AC1Q48VN; ACN-027221; SDCCGMLS-0066845.P001; KB-146762; FT-0602529; MLS006011902; CHEBI:69581; SMR000112386; Acetophenone, 2'-hydroxy-4'-methoxy-; 2'-Hydroxy-4'-methoxyacetophenone; CTK3J0180; AM20040702; BB_SC-2796; CBiol_000986; BRD-K94239562-001-02-2; InChI=1/C9H10O3/c1-6(10)8-4-3-7(12-2)5-9(8)11/h3-5,11H,1-2H; AS05193; Q-100626; 1-(2-Hydroxy-4-methoxyphenyl)ethanone #; HY-N0159; STK078097; I06-0541; MFCD00008730; NSC-401442; 3R834EPI82; KS-000004VU; PubChem3271; AK-79421; SR-05000002397; 1-(2-hydroxy-4-methoxy-phenyl)-ethanone; TC-067540; 4-Methoxy-2-hydroxyacetophenone; Acetophenone, 2'-hydroxy-4'-methoxy- (7CI,8CI); LS-101156; AJ-08110; 552H410; Paeonal; NSC 401442; SC-05288; N1847; 1-(2-hydroxy-4-methoxyphenyl)ethan-1-one; BDBM50310718; AS-15489; 4-O-Methylresacetophenone; NCGC00095977-02; ICCB4_000282; ACT07801; NSC401442; SPBio_002161; AC1L1WLK; Spectrum3_001686; 1-(2-hydroxy-4-methoxy-phenyl)ethanone; 4-methoxy 2-hydroxy acetophenone; ACMC-209lls; s2339; ST24021015; NCGC00095977-01; PAEONOL; ANW-32270; 2-HYDROXY-4-METHOXYACETOPHENONE (4,4,4-D3); 2-Hydroxy-4-methoxyacetophenone; Spectrum2_001981; AI3-10581; BSPBio_003212; Peonol; 4-08-00-01793 (Beilstein Handbook Reference); 2-Acetyl-5-methoxy-phenol; 1-acetyl-2-hydroxy-4-methoxybenzene; NCGC00095977-03; CJ-00070; Ethanone, 1-(2-hydroxy-4-methoxyphenyl)-; DTXSID1022059; AC-7982; BRN 1282794; SBB066134; ZINC1906; ACN-S003528; 4'-Methoxy-2'-hydroxyacetophenone; 1-(4-Methoxy-2-hydroxy-phenyl)-ethanone; RP02462; P565; 2'-Hydroxy-4'-methoxyacetophenone, 99%; ethanone,1-(2-hydroxy-4-methoxyphenyl)-; peonol; Ethanone,1-(2- Hydroxy- 4- methoxyphenyl); 1-(2-hydroxy-4-methoxyphenyl)-ethanone; paeonal | C9H10O3 | 166.17 g/mol | CC(=O)C1=C(C=C(C=C1)OC)O |
| TCMBANKIN059042 | 1H-2,6-dioxacyclopent(cd)inden-1-one, 4-((acetyloxy)methyl)-5-(beta-D-glucopyranosyloxy)-2a,4a,5,7b-tetrahydro-, (2aS-(2aalpha,5alpha,7balpha))- | asperuloside; 14259-45-1; NSC 31760; (2aS-(2aalpha,4aalpha,5alpha,7balpha))-5-(beta-D-glucopyranosyloxy)-2a,4a,5,7b-tetrahydro-1-oxo-1H-2,6-dioxacyclopent(cd)inden-4-ylmethyl acetate; C09769; EINECS 238-137-5 | C18H22O11 | 414.36 | CC(=O)OCC1=CC2C3C1C(OC=C3C(=O)O2)OC4C(C(C(C(O4)CO)O)O)O |
| TCMBANKIN059253 | Hexahydro-farnesyl acetone | hexahydro-farnesylacetone; 6,10,14-trimethyl-2-pentadecanone; 6, 10, 14-trimethyl-2-pentadecanone; (6S,10S)-6,10,14-trimethylpentadecan-2-one; 2-pentadecanone,6,10,14-trimethyl-; phytone; 6,10,14-TRIMETHYL-2-PENTADECANONE; hexahydro-farnesyl-acetone; 6,10,14-trimethyl-pentadecan-2-one; C-25231; MFCD00065420; ST049442; 13955-74-3; 2-pentadecanone, 6,10,14-trimethyl; 502-69-2; MCULE-5164481361; AC1Q5H6P; PHYTONE; 6,10,14-Trimethylpentadeca-2-one; 6,10,14-trimethyl pentadecan-2-one; STK761211; OR13502; AN-21434; CTK4J2356; MolPort-001-758-493; (R,R)-Phytone; ZX-AT021772; 2-Pentadecanone,6,10,14-trimethyl-; Hexahydrofarnesyl acetone; 6,10,14-trimethyl-2-pentadecanon; Fitone; AKOS016347358; Hexahydrofarnezylacetone; SBB012620; ZERO/001268; CC-29299; Hexahydrofarnesylacetone; 36116P; 2-Pentadecanone, 6,10,14-trimethyl-; 6,10,14-trimethyl-pentadecane-2-one; W-109084; SCHEMBL716506; Phytol ketone; AKOS001727037; SR-01000526355-1; FT-0632240; SR-01000526355; KB-85744; 6,10,14-Trimethylpentadecan-2-one; hexahydrofarnesylacetone; WHWDWIHXSPCOKZ-UHFFFAOYSA-N; EINECS 207-950-7; AC1L1V4Z; hexahydrofarnesylacetone; 6,10,14-trimethyl-2-pentadecanone; 6,10,14-trimethyl-2-Pentadeeanone; hexahydrofarnesyl acetone; 6,10,14-Trimethylpentadecan-2-one; 2-Pentadecanone, 6,10,14-trimethy-; 6, 10, 14- trimethyl- 2- pentadecanone; (6R,10R)-6,10,14-trimethylpentadecan-2-one; ZINC02169908; 6,10,14-trimethylpentadecan-2-one; 2-pentadecanone,6,10,14-trimethyl; Phytone; hexahydrofarnesyl acetone; perhydrofarnesyl acetone; FITONE | C18H36O | 268.5 g/mol | CC(C)CCCC(C)CCCC(C)CCCC(=O)C |
| TCMBANKIN059272 | diisobutyl phthalate | di-isobutyl phthalate;ST5405544; diisobutyl benzene-1,2-dicarboxylate; benzene-1,2-dicarboxylic acid diisobutyl ester; Di-iso-butyl phthalate; 80130_FLUKA; Isobutyl phthalate; bis(2-methylpropyl) benzene-1,2-dicarboxylate; (C4-C13) Branched alkyl alcohols, phthalic anhydride ester; ZINC00388318; EINECS 201-553-2; NSC15316; 1,2-Benzenedicarboxylic acid, bis(2-methylpropyl) ester; Diisobutyl phthalate; 152641_ALDRICH; EINECS 273-157-8; 68951-39-3; C15205; AI3-04278; Phthalic acid, diisobutyl ester; BRN 2054802; NCGC00091360-01; NSC 15316; WLN: 1Y1&1OVR BVO1Y1&1; 4-09-00-03177 (Beilstein Handbook Reference); Diisobutylester kyseliny ftalove [Czech]; Hexaplas M/1B; 1,2-Benzenedicarboxylic acid, C4-13-branched alkyl esters; AI3-04278 (USDA); Kodaflex DIBP; 68955-80-6; Hatcol DIBP; HSDB 5247; CCRIS 6193; di-l-butyl phthalate (DIBP); Di(i-butyl)phthalate; SMR000112470; MLS000516002; 84-69-5; Palatinol IC | C16H22O4- C6H4[CO2CH2CH(CH3)2]2 | 278.34 g/mol | CC(C)COC(=O)C1=CC=CC=C1C(=O)OCC(C)C |
| TCMBANKIN059607 | 3-o-cis-coumaroyl maslinic acid | C39H54O6 | 618.8 g/mol | CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)OC(=O)C=CC6=CC=C(C=C6)O)O)C)C)C2C1)C)C(=O)O)C | |
| TCMBANKIN059705 | picrocrocinic acid | C16H26O8 | 346.37 g/mol | CC1=C(C(CC(C1)OC2C(C(C(C(O2)CO)O)O)O)(C)C)C(=O)O | |
| TCMBANKIN059916 | 2,6,6-trimethyl-2,4-cycloheptadien-1-one | C10H14O | 150.22 | CC1=CC=CC(CC1=O)(C)C | |
| TCMBANKIN059967 | germacrone | C15H22O | 218.33 | CC1=CCC(=C(C)C)C(=O)CC(=CCC1)C | |
| TCMBANKIN059982 | d-limonene | C10H16 | 136.23 g/mol | CC1=CCC(CC1)C(=C)C | |
| TCMBANKIN060045 | Skatol | C9H9N | 131.17 | CC1=CNC2=CC=CC=C12 | |
| TCMBANKIN060264 | rutin | C27H30O16 | 610.5 g/mol | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O | |
| TCMBANKIN060541 | 19-α-hydroxy-3-acetyl-ursolic acid | C30H48O4 | CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1(C)O)C)C(=O)O | ||
| TCMBANKIN060679 | stigmasterol | C29H48O | 412.7 g/mol | CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C | |
| TCMBANKIN060693 | Sitogluside | C35H60O6 | 576.85g/mol | CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C | |
| TCMBANKIN060705 | methyl linoleate | C19H34O2 | 294.47 | CCC=CCC=CCC=CCCCCCCCC(=O)OC | |
| TCMBANKIN060711 | 3-methyl-2-(2-pentenyl)-2-cyclopenten-1-one | C11H16O | 164.24 g/mol | CCC=CCC1=C(CCC1=O)C | |
| TCMBANKIN060792 | urushio iii | C21H32O2 | 316.48 | CCCC=CCC=CCCCCCCCC1=C(C(=CC=C1)O)O | |
| TCMBANKIN060819 | 2-heptenal;E-2-Heptenal;cis-Hept-2-enal;trans-2-heptenal;(E)-2- heptenal;Heptenal;beta-heptenal;(Z)-2-heptenal;2- Heptenal,(E)-;alpha-heptenal | C7H12O | 112.17 g/mol | CCCCC=CC=O | |
| TCMBANKIN060868 | trans-2,4-decadienal | C10H16O | 152.23 g/mol | CCCCCC=CC=CC=O | |
| TCMBANKIN060879 | Linolic acid | C18H32O2 | 280.4 g/mol | CCCCCC=CCC=CCCCCCCCC(=O)O | |
| TCMBANKIN060881 | linoleic acid ethyl ester | C20H36O2 | 308.5 g/mol | CCCCCC=CCC=CCCCCCCCC(=O)OCC | |
| TCMBANKIN060888 | caproaldehyde | C6H12O | 100.16 g/mol | CCCCCC=O | |
| TCMBANKIN060891 | 2-Amyl furan | C9H14O | 138.21 g/mol | CCCCCC1=CC=CO1 | |
| TCMBANKIN060910 | cis-9-hexadecenoic acid | C16H30O2 | 254.41 g/mol | CCCCCCC=CCCCCCCCC(=O)O | |
| TCMBANKIN060934 | dec-2-enal | C10H18O | 154.25g/mol | CCCCCCCC=CC=O | |
| TCMBANKIN060958 | oleic acid;cis-oleic acid;oleinic acid | C18H34O2 | 282.46 | CCCCCCCCC=CCCCCCCCC(=O)O | |
| TCMBANKIN060959 | Methyl oleate | C19H36O2 | 296.5 g/mol | CCCCCCCCC=CCCCCCCCC(=O)OC | |
| TCMBANKIN061006 | lauric acid | C12H24O2 | 200.32 | CCCCCCCCCCCC(=O)O | |
| TCMBANKIN061029 | myristic acid | C14H28O2 | 228.37 | CCCCCCCCCCCCCC(=O)O | |
| TCMBANKIN061043 | MYS | C15H32 | 212.41 | CCCCCCCCCCCCCCC | |
| TCMBANKIN061071 | Ethylpalmitate | C18H36O2 | 284.5 g/mol | CCCCCCCCCCCCCCCC(=O)OCC | |
| TCMBANKIN061091 | stearic acid | CH3(CH2)16COOH | 284.5 g/mol | CCCCCCCCCCCCCCCCCC(=O)O | |
| TCMBANKIN061120 | Nonacosanediol-6,8 | C29H60O2 | 440.79 | CCCCCCCCCCCCCCCCCCCCCC(CC(CCCCC)O)O | |
| TCMBANKIN061139 | n-nonacosane | C29H60 | 408.79 g/mol | CCCCCCCCCCCCCCCCCCCCCCCCCCCCC | |
| TCMBANKIN061141 | n-hentriacontane | C31H64 | 436.8 g/mol | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC | |
| TCMBANKIN061188 | Acetate C-8 | C10H20O2 | 172.26 g/mol | CCCCCCCCOC(=O)C | |
| TCMBANKIN061224 | methyl propyl disulfide | C4H10S2 | 122.3 g/mol | CCCSSC | |
| TCMBANKIN061404 | Clorius | AI3-00525; NSC 9394; InChI=1/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H; 18344_FLUKA; benzoic acid methyl ester; AIDS-018029; Oil of Niobe; UN2938; ZINC00156868; AIDS018029; Methyl benzoate; CCRIS 5851; EINECS 202-259-7; Methyl benzoate [UN2938] [Keep away from food]; Essence of niobe; WLN: 1OVR; Clorius (VAN); Methylester kyseliny benzoove [Czech]; oniobe oil; 93-58-3; W268305_ALDRICH; FEMA No. 2683; Methyl benzenecarboxylate; 27614_RIEDEL; Benzoic acid, methyl ester; Methyl benzoate (natural); oxidate le; Methylbenzoate; NSC9394; Niobe oil; M29908_ALDRICH; W268313_ALDRICH; HSDB 5283; NCGC00091665-01;I01-2293; AC1L1O4G; MFCD00008421; Z19825577; benzoic acid methylester; Oxidate le; EC 202-259-7; NCGC00259381-01; UN2938; benzoic acid methyl; 102027-EP2371831A1; NCGC00256939-01; A844641; EINECS 202-259-7; NSC-9394; C20645; KSC487A6F; WLN: 1OVR; DSSTox_GSID_25572; Methyl benzenecarboxylate; Benzoic acid, methyl ester; Methyl benzoate, for synthesis, 98.0%; Methyl benzoate (natural); BB_SC-7167; UNII-6618K1VJ9T; AKOS000120640; Methylbenzoate; AN-42658; MCULE-3681534655; Methyl benzoate, analytical standard; AI3-00525; InChI=1/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H; TC-060464; DSSTox_RID_77836; ANW-75136; ZINC156868; SMR001216584; 102027-EP2272817A1; Methyl ester of benzoic acid; UN 2938; (benzoyloxy)methyl; Methylester kyseliny benzoove; 93-58-3; 102027-EP2301983A1; CHEMBL16435; KB-54731; SC-18079; J-522592; F0001-2239; 1082718-77-1; Niobe oil; NCGC00091665-01; CTK3I7062; NSC 9394; ST51015549; ACT10969; Methyl benzoate, 99%; CAS-93-58-3; BBL010502; CCRIS 5851; DSSTox_CID_5572; Methyl benzoate [UN2938] [Keep away from food]; 102027-EP2287940A1; Methyl benzoate [UN2938] [Keep away from food]; B0074; SCHEMBL7200; Essence of niobe; FEMA No. 2683; FT-0622713; Methyl benzoate, natural, >=98%, FCC, FG; STK021498; SBB058212; Tox21_303198; MLS001050185; SCHEMBL4790973; Tox21_201832; DTXSID5025572; Methyl benzoate, >=99% (GC); RP20261; 6618K1VJ9T; Methyl benzoate, >=98%, FCC, FG; AK-98161; benzoic acid methyl ester; METHYL BENZOATE; KS-00000VMQ; CHEBI:72775; methyloxycarbonylbenzene; AJ-13898; SCHEMBL10330498; ST24031184; 102027-EP2289965A1; Clorius; TRA0079771; Methylester kyseliny benzoove [Czech]; RTC-060464; Oil of niobe; ZB006457; ACMC-20aioi; NCGC00091665-02; LS-1945; MolPort-001-783-861; Oniobe oil; 102027-EP2275469A1; NSC9394; QPJVMBTYPHYUOC-UHFFFAOYSA-N; HSDB 5283 | C8H8O2 | 136.15 | COC(=O)C1=CC=CC=C1 |
| TCMBANKIN061411 | Deacetyl asperulosidic acid methyl ester | methyldeacetylasperulosidate, methyl (1S,4aS,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylate; deacetyl asperulosidicacid methyl ester; (1S,4aS,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylic acid methyl ester; deacetyl asperulosidic acid methyl ester; (1S,4aS,5S,7aS)-5-hydroxy-7-methylol-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylic acid methyl ester; methyl (1S,4aS,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylate | C17H24O11 | 404.4 g/mol | COC(=O)C1=COC(C2C1C(C=C2CO)O)OC3C(C(C(C(O3)CO)O)O)O |
| TCMBANKIN061413 | GBGB | Cyclopenta(c)pyran-4-carboxylic acid, 1-((6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy)-1,4a,5,7a-tetrahydro-7-(hydroxymethyl)-, methyl ester, (1R-(1alpha,4aalpha,7aalpha))-; Genipin 1-gentiobioside; (1S,4aS,7aS)-7-methylol-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylic acid methyl ester; methyl (1S,4aS,7aS)-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylate; Genipin 1-beta-gentiobioside; 29307-60-6; methyl (1S,4aS,7aS)-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylate; (1S,4aS,7aS)-7-(hydroxymethyl)-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxymethyl]-2-tetrahydropyranyl]oxy]-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylic acid methyl ester;genipin-gentiobioside;genipingentiobioside;genipin- 1- O- β- D- gentiobioside | C23H34O15 | 550.51g/mol | COC(=O)C1=COC(C2C1CC=C2CO)OC3C(C(C(C(O3)COC4C(C(C(C(O4)CO)O)O)O)O)O)O |
| TCMBANKIN061414 | 6''-o-p-cis-coumaroylgenipin gentiobioside | (1S,4aS,7aS)-7-(hydroxymethyl)-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)-1-oxoprop-2-enoxy]methyl]-2-tetrahydropyranyl]oxymethyl]-2-tetrahydropyranyl]oxy]-1,4a,5,7a-tetrahydrocyclopenta[d]pyran; 6''-O-p-Coumaroylgenipingentiobioside; (1S,4aS,7aS)-7-methylol-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)acryloyl]oxymethyl]tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylic ac; methyl (1S,4aS,7aS)-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylate; methyl (1S,4aS,7aS)-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[d]pyr | C32H40O17 | 696.6 g/mol | COC(=O)C1=COC(C2C1CC=C2CO)OC3C(C(C(C(O3)COC4C(C(C(C(O4)COC(=O)C=CC5=CC=C(C=C5)O)O)O)O)O)O)O |
| TCMBANKIN061446 | swertisin | LMPK12110972; 7-O-Methylapigenin 6-C-beta-D-glucopyranoside; SCHEMBL2778667; 6-beta-D-Glucopyranosyl-4',5-dihydroxy-7-methoxyflavone; 3-hydroxy-4-methoxy-phenylmethol-O-β-D-glucopyranosyl-(1→6 )-β-D-glucopyranoside | C22H22O10 | 446.4 g/mol | COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O)C4C(C(C(C(O4)CO)O)O)O |
| TCMBANKIN061478 | artemisetin | UNII-73KMT7R64H; Penta-O-methylquercetagetin; Flavone, 5-hydroxy-3,3',4',6,7-pentamethoxy-; MEGxp0_002022; 5'-Hydroxy-3,3',4',6,7-pentamethoxyflavone; ACon1_000985; BRD-K39946608-001-01-8; ARTEMISETIN(P); 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-5-hydroxy-3,6,7-trimethoxy-; 4H-1-Benzopyran-4-one,2-(3,4-dimethoxyphenyl)-5-hydroxy-3,6,7-trimethoxy-; CHEMBL225700; LMPK12113017; RIGYMJVFEJNCKD-UHFFFAOYSA-N; 3,6,7,3',4'-pentamethylquercetagetin; NCGC00169786-01; AKOS032948424; ZINC5733763; 5-Hydroxy-3,3',4',6,7-pentamethoxyflavone; 479-90-3; Quercetagetin 3,6,7,3',4'-pentamethyl ether; 5-hydroxy-3,3',4',6,7-pentamethoxy-flavone; Artemisetin; SCHEMBL2122576; Artemetin; AC1NSZD5; DTXSID20197325; Quercetagetin-3,6,7,3',4'-pentamethylether; W1655; MolPort-001-742-702; 4CN-1415; BG01675906; 5-Hydroxy-3,6,7,3',4'-pentamethoxyflavone; 2-(3,4-dimethoxyphenyl)-5-hydroxy-3,6,7-trimethoxy-chromen-4-one; Erianthin; 73KMT7R64H; 2-(3,4-dimethoxyphenyl)-5-hydroxy-3,6,7-trimethoxychromen-4-one; 2-(3,4-Dimethoxyphenyl)-5-hydroxy-3,6,7-trimethoxy-4H-chromen-4-one #; artemetin | C20H20O8 | 388.4 g/mol | COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)O)OC)OC |
| TCMBANKIN061486 | 5-hydroxy-3',4',6,7-tetramethoxyflavone | 2-(3,4-dimethoxyphenyl)-5-hydroxy-6,7-dimethoxychromen-4-one; 21763-80-4; 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-5-hydroxy-6,7-dimethoxy-; 2-(3,4-dimethoxyphenyl)-5-hydroxy-6,7-dimethoxy-chromone; AIDS218321; 5-Hydroxy-3',4',6,7-tetramethoxyflavone; 2-(3,4-dimethoxyphenyl)-5-hydroxy-6,7-dimethoxy-chromen-4-one; 2-(3,4-Dimethoxyphenyl)-5-hydroxy-6,7-dimethoxy-4H-chromen-4-one; 2-(3,4-dimethoxyphenyl)-5-hydroxy-6,7-dimethoxy-4-chromenone; AIDS-218321; 5-Hydroxy-6,7,3',4'-tetramethoxyflavone; HTMF; 5-hydroxy-3′,4′,6,7-tetramethoxyflavone; 5-hydroxy-6,7,3',4'-tetramethoxyflavone; 5-hydroxy-6,7,3 ', 4'-tetramethoxy flavone; AC1L48C3; 57296-14-7; 3'-O-methyl-eupatorin; 2-(3,4-Dimethoxyphenyl)-5-hydroxy-6,7-dimethoxy-4H-chromen-4-one; BDBM50092614; DTXSID50176163; 2-(3,4-dimethoxyphenyl)-5-hydroxy-6,7-dimethoxychromen-4-one; 3,5-dihydroxy-6,7,3',4'-tetramethoxyflavone; 2-(3,4-dimethoxyphenyl)-3,5-dihydroxy-6,7-dimethoxy-chromen-4-one; 5-Hydroxy-3',4',6,7-tetramethoxyflavone; 2-(3,4-dimethoxyphenyl)-5-hydroxy-6,7-dimethoxy-chromen-4-one; 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-3,5-dihydroxy-6,7-dimethoxy-; AK583634; QEWSAPKRFOFQIU-UHFFFAOYSA-N; HTMF; SCHEMBL3131502; 21763-80-4; 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-5-hydroxy-6,7-dimethoxy-; CTK4E7643; 5-hydroxy-6,7-dimethoxy-2-(3,4-dimethoxyphenyl)-4H-chromen-4-one; 2-(3,4-dimethoxyphenyl)-3,5-dihydroxy-6,7-dimethoxy-4-chromenone; CHEMBL226508; 2-(3,4-dimethoxyphenyl)-3,5-dihydroxy-6,7-dimethoxychromen-4-one; LMPK12111243; 2-(3,4-dimethoxyphenyl)-3,5-dihydroxy-6,7-dimethoxy-chromone; AKOS030553584; Belamcanidin; 6-Hydroxyluteolin 6,7,3',4'-tetramethyl ether; 5-Hydroxy-6,7,3',4'-tetramethoxyflavone; 4H-1-Benzopyran-4-one,2-(3,4-dimethoxyphenyl)-5-hydroxy-6,7-dimethoxy-; 2-(3,4-Dimethoxyphenyl)-3,5-dihydroxy-6,7-dimethoxy-4H-1-benzopyran-4-one; 2-(3,4-Dimethoxyphenyl)-5-hydroxy-6,7-dimethoxy-4H-chromen-4-one #; 5-demethylsinensetin; belamcanidin; 3,5-Dihydroxy-6,7,3',4'-tetramethoxyflavone; belamcadin | C19H18O7 | 358.3 g/mol | COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)O)OC |
| TCMBANKIN061514 | Benzenemethanol,3,4-dimethoxy | Veratryl alcohol; 3,4-Dimethoxyphenylmethyl alcohol; NSC6317; D133000_ALDRICH; (3,4-dimethoxyphenyl)methanol; 3,4-Dimethoxybenzyl alcohol; EINECS 202-212-0; 38700_FLUKA; AI3-24181; Veratryl alcohol (8CI); Benzenemethanol, 3,4-dimethoxy-; NSC 6317; ST5406387; 93-03-8; ZINC00388569 | C9H12O3 | 168.19 g/mol | COC1=C(C=C(C=C1)CO)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 |
| TCMBANKIN061529 | 6,7-dimethoxycoumarin | 6, 7-dimethoxycoumarin; 6, 7-dimethoxy coumarin; 6,7-dimethoxy-coumarin; 6, 7- dimethoxycoumarin; 6,7-Dimethoxy coumarin;6,7-dimethoxy-2h-1-benzopyran-2-one;C-10265; EINECS 204-369-0; 6,7-Dimethoxy-Benzopyran-2-one; Dimethyl esculetin; KS-00000W5Q; W-1779; C11H10O4; 6,7-Dimethoxy-Coumarin; AC1L1QYE; DTXSID10152640; ZINC00002067; 6,7-DIMETHOXYCOUMARIN; Esculetin 6,7-dimethyl ether; 6,7-Dimethoxycoumarine; RTR-003340; ST50319943; CJ-00079; BRN 0169572; TR-003340; Scoparin?; Escoparone; 6,7-dimethoxy-2-chromenone; Bio-0192; 6,7-Dimethoxy-2-benzopyrone; 6,7-Dimethoxy-chromen-2-one; BDBM50361374; CC-22351; 2H-1-Benzopyran-2-one,6,7-dimethoxy-; 2H-1-Benzopyran-2-one, 6,7-dimethoxy-; AKOS000277541; AB3000014; 6,7-Dimethoxybenzopyran-2-one; 6,7-Dimethoxy-2H-chromen-2-one #; OR345015; ACon1_002079; SR-01000631300-1; 6,7-Dimethoxy-2H-chromen-2-one; ST5319943; AN-43331; GUAFOGOEJLSQBT-UHFFFAOYSA-N; Scoparone; KSC241M7T; o,o-Dimethylesculetin; 5-18-03-00204 (Beilstein Handbook Reference); BRD-K16835051-001-02-0; Benzopyran-2-one, 6,7-dimethoxy-; SC-46088; PubChem13307; 120S081; 6,7-dimethoxychromen-2-one; H5841PDT4Y; C09311; 254886_ALDRICH; FT-0603321; MEGxp0_001422; Esculetin dimethyl ether; 6,7-Dimethylcoumarine; Scoparon; CHEMBL325864; AM20020282; CCG-41207; 120-08-1; IN1101; LS-55182; Dimethylaesculetin; I14-17932; Maybridge4_003009; SCHEMBL240777; AIDS026315; o-Methylisoscopoletin; Benzopyran-2-one, 6,7-dimethoxy- (9CI); MCULE-1591753422; ZB000476; N2328; AC-11197; Aesculetin dimethyl ether; Coumarin, 6,7-dimethoxy-; 6,7-Dimethylesculetin; 6,7-Dimethoxy-2H-1-benzopyran-2-one; Q-100099; CHEBI:9055; 6,7-dimethoxycoumarin; ZINC2067; BRD-K16835051-001-01-2; MolPort-000-881-854; MFCD00006871; UNII-H5841PDT4Y; HMS1529I17; AB0019685; Scopoletin methyl ether; ACMC-20am0m; scoparone ; AIDS-026315; o-Methylscopoletin; 6,7-Dimethoxycoumarin, 98%;scoparone | C11H10O4 | 206.19 g/mol | COC1=C(C=C2C(=C1)C=CC(=O)O2)OC |
| TCMBANKIN061561 | vanillic acid | CJ-02984; CHEBI:16632; Vanillate; CHEBI:30816; H36001_ALDRICH; InChI=1/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11; BRN 2208364; WKOLLVMJNQIZCI-UHFFFAOYSA-M; 94770_FLUKA; WLN: QVR DQ CO1; MLS000574833; Acide vanillique; vanillicacid; C06672; m-Anisic acid, 4-hydroxy-; VA (VAN); vanil-lic acid; 4-Hydroxy-3-methoxybenzoic acidion; 4-Hydroxy-3-methoxybenzoic acid; Protocatechuic acid, 3-methyl ester; NSC3987; NSC 674322; DB02130; VANILLIC ACID; p-Vanillic acid; NSC 3987; ZB010900; 4-Hydroxy-3-methoxybenzoate; AIDS-018089; p-Hydroxy-m-methoxy-benzonic acid; 3-Methoxy-4-hydroxybenzoic acid; 4-hydroxy-3-methoxy-benzoic acid; NSC674322; 6746-48-1; 121-34-6; AC1L2LVA; Benzoic acid, 4-hydroxy-3-methoxy-; AI3-19542; SMR000156289; AIDS018089; SBB008280; W398802_ALDRICH; EINECS 204-466-8; 4-hydroxy-3-methoxy benzoic acid; 3-methoxy-4-hydroxybenzoic acid | C8H8O4 | 168.15 g/mol | COC1=C(C=CC(=C1)C(=O)O)O |
| TCMBANKIN061745 | syringic acid; Syryngic; 1,5-dimethoxy-3-hydroxybenzoicacid; 3,5-dimethoxy-4-hydroxybenzoic acid; Cedar acid | I01-1212; syringicacid; 3,5-dimethoxy-4-oxidanyl-benzoate; CHEBI:132111; 4-hydroxy-3,5-dimethoxybenzoate; c1409; ZB006317; AKOS015888648; A824548; A829374; CJ-01507; AC1OC351; ST51051575; C10833; DivK1c_006581; KBio3_002814; 530-57-4; AI3-24376; 3,5-Dimethoxy-4-hydroxybenzyl acid; S6881_SIGMA; BSPBio_003312; InChI=1/C9H10O5/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4,10H,1-2H3,(H,11,12; EINECS 208-486-8; Gallic acid 3,5-dimethyl ether; Syringic acid; NSC2129; Spectrum3_001866; 4-10-00-01995 (Beilstein Handbook Reference); 4-Hydroxy-3,5-dimethoxybenzoic acid; SpecPlus_000485; NSC 2129; 4-hydroxy-3,5-dimethoxy-benzoic acid; Spectrum5_000963; ST5214746; KBio1_001525; BRN 2115262; 3,5-Dimethoxy-4-hydroxybenzoic acid; Benzoic acid, 4-hydroxy-3,5-dimethoxy- | C9H10O5 | 198.17 g/mol | COC1=CC(=CC(=C1O)OC)C(=O)O |
| TCMBANKIN061747 | 3-o-caffeoyl-4-o-sinapoylquinicacid | 3-o-caffeoyl-4-o-sinapoylquinic acid | C27H28O13 | 560.5 g/mol | COC1=CC(=CC(=C1O)OC)C=CC(=O)OC2C(CC(CC2OC(=O)C=CC3=CC(=C(C=C3)O)O)(C(=O)O)O)O |
| TCMBANKIN061752 | Syringaldehyde | BP-12551; W-108274; SYRINGIC ALDEHYDE; TL8000818; F2190-0619; 3,5-Dimethoxy-4-hydroxybenzene carbonal; SBB007558; syringaldehyde; Benzaldehyde,5-dimethoxy-4-hydroxy-; 134S963; Syringaldehyde (3,5-Dimethoxy-4-hydroxybenzaldehyde); MolPort-000-871-246; 4-08-00-02718 (Beilstein Handbook Reference); AC-7993; Syringylaldehyde; RP24321; Benzaldehyde, 4-hydroxy-3,5-dimethoxy-; 3,5-Dimethoxy-4-Hydroxy-Benzaldehyde; M-5269; BBL023037; CJ-01202; BB_NC-1418; 3,5-Dimethoxy-4-hydroxybenzaldehyde; 134-96-3; DTXSID2059643; AK-58336; Gallaldehyde 3,5-dimethyl ethel; Syringaldehyde, 98%; EINECS 205-167-5; NSC 41153; AIDS-340410; MCULE-3798898100; CD0099; AB1002509; 86220_FLUKA; FT-0618631; AI3-28796; D0635; Syringealdehyde; S7602_ALDRICH; Syringaldehyde, analytical standard; 4-Hydroxy-3,5-dimethoxybenzaldehydl; AN-8414; CHEBI:67380; AJ-12845; InChI=1/C9H10O4/c1-12-7-3-6(5-10)4-8(13-2)9(7)11/h3-5,11H,1-2H; Syringaldehyde, Vetec(TM) reagent grade, 98%; KCDXJAYRVLXPFO-UHFFFAOYSA-N; BG00602125; 3,5-DIMETHOXY-4-HYDROXYBENZALDEHYDE, PURE; STR09162; UNII-2ZR01KTT21; Syringaldehyde, >=98%, FG; 3,5-Dimethoxy-4-hydroxybenzaldehyde; 4-Hydroxy-3,5-dimethoxybenzaldehyde; TR-004732; ST093694; NSC-41153; RTR-004732; AT-3143; Syringe aldehyde; 4CN-0961; 4-hydroxy-3,5-dimethoxy-benzaldehyde; CTK0H4628; 4-Hydroksy-3,5-dwumetoksybenzaldehyd [Polish]; 3,5-Dimethoxy-4-hydroxy benzaldehyde; ANW-19730; bmse010204; syringaldehye; KSC174M2R; 4-hydroxy-3,5-dimethoxy benzaldehyde; bmse000595; KB-60663; AP-065/41884112; Cedar aldehyde; MFCD00006943; Springaldehyde; ACMC-209bxg; ZINC152926; BRN 0784514; AIDS340410; SC-50428; AKOS000119539; CHEMBL225303; 4-Hydroxy-3,5-dimethoxybenzaldehyde; SYRINGALDEHYDE; NSC41153; SCHEMBL150376; 4-Hydroksy-3,5-dwumetoksybenzaldehyd; CS-0016810; I01-1214; Benzaldehyde, 3,5-dimethoxy-4-hydroxy-; Gallaldehyde 3,5-dimethyl ether; AC1Q489M; AC1L1RFP; STK801968; LS-25017; Syringic aldehyde; 2ZR01KTT21; ZINC00152926; J10333; W404926_ALDRICH; ST2411453;syringic aldehyde;3,5-dimethoxy-4-hydroxybenzaldehyde;yringaldehyde | C9H10O4 | 182.17 g/mol | COC1=CC(=CC(=C1O)OC)C=O |
| TCMBANKIN061762 | syringaresinol | (+)-Suyringaresinol-di-O-beta-D-glucoside_qt; (+)syringaresinol; (+)-Suyringaresinol-di-O-beta-D-glucoside; liriodendrin_qt; dl-Syringaresinol; syringaresinol diglucoside_qt; dl-sy-ringaresinol; (+)-syringaresinol-O-β-D-glucopyranoside; (+ )-syringaresinol; 4-[(1S,3aR,4S,6aR)-4-(4-hydroxy-3,5-dimethoxy-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-1-yl]-2,6-dimethoxy-phenol; 21453-69-0; C10889; (7alpha,7'alpha,8alpha,8'alpha)-3,3',5,5'-tetramethoxy-7,9':7',9-diepoxylignane-4,4'-diol; CHEBI:47; 4-[(1S,3aR,4S,6aR)-4-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-1-yl]-2,6-dimethoxyphenol; (+)-syringaresinol; (+ )- syringaresinol; dl-syringaresinol; (-)-syringaresinol; episyringaresinol; (+)-syringarosinol; (+ )-Syringaresinol-O-β-D-glucopyranoside; syringaresino; (-)-syringaresinol; (?)-syringaresinol; (+)-Syringaresinol; lirioresinol-A | C34H46O18 | 742.72 | COC1=CC(=CC(=C1O)OC)C2C3COC(C3CO2)C4=CC(=C(C(=C4)OC)O)OC |
| TCMBANKIN061765 | medioresinol | 4-[(1S,3aR,4S,6aR)-4-(4-hydroxy-3-methoxy-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-1-yl]-2,6-dimethoxy-phenol; 4-[(1S,3aR,4S,6aR)-4-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-1-yl]-2,6-dimethoxyphenol; (–)-Medioresinol; (+)-medioresinol; (+)-Medioresinol di-O-beta-D-glucopyranoside_qt; 40957-99-1 | C21H24O7 | 388.4 g/mol | COC1=CC(=CC(=C1O)OC)C2C3COC(C3CO2)C4=CC(=C(C=C4)O)OC |
| TCMBANKIN061776 | gardenin a | UNII-24J0W87Z43; 5-Hydroxy-3',4',5',6,7,8-hexamethoxyflavone; Gardenin; 5-Hydroxy-6,7,8,3',4',5'-Hexamethoxyflaone; NCGC00168844-01; AK391222; 24J0W87Z43; 5-hydroxy-6,7,8-trimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one; PubChem9851; MFCD00017419; DTXSID30175417; ZINC1615112; Flavone,4',5',6,7,8-hexamethoxy-; 5-Hydroxy-6,7,8-trimethoxy-(3,4,5-trimethoxyphenyl)-4H-1-benzopyran-4-one; MCULE-6990234990; 4H-1-Benzopyran-4-one,5-hydroxy-6,7,8- trimethoxy-2-(3,4,5-trimethoxyphenyl)-; 3',4',5',6,7,8-Hexamethoxy-5-hydroxyflavone; AKOS024286925; ACM21187735; SCHEMBL1764114; AC1L668E; HMS2269F21; CHEMBL77705; SMR000440777; BRD-K78744675-001-01-7; 21187-73-5; ST097542; MLS000863619; BIDD:ER0415; CJ-26066; ACon1_000048; Gardenin A; LMPK12111493; C-22035; NSC94889; 5-hydroxy-6,7,8-trimethoxy-2-(3,4,5-trimethoxyphenyl)-4H-chromen-4-one; 5OH3'4'5'6,7,8-hexMeO-Flavone; Flavone, 5-hydroxy-3',4',5',6,7,8-hexamethoxy-; MQBFFYQCZCKSBX-UHFFFAOYSA-N; NSC 94889; NCGC00096041-01; Gardenin (1); NSC-94889; BDBM153263; NCGC00096041-02; NCI60_042113; CTK4E6049; ST50331615; gardenin a, AldrichCPR; SPECTRUM1505146; FT-0630469; 4H-1-Benzopyran-4-one,7,8-trimethoxy-2-(3,4,5-trimethoxyphenyl)-; MEGxp0_001882; AC1Q6AIV | C21H22O9 | 418.4 g/mol | COC1=CC(=CC(=C1OC)OC)C2=CC(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O |
| TCMBANKIN061777 | 5-hydroxy-6,7,3',4',5'-pentamethoxyflavone | umuhengerin;UNII-FV67777M5Z; 5-Hydroxy-3',4',5',6,7-pentamethoxyflavone; DTXSID70183475; Umuhengerin; LMPK12111275; Umhengerin; AC1L2K87; FV67777M5Z; GRADENIN A; AKOS030553645; 5-Hydroxy-6,7,3',4',5'-pentamethoxyflavone; 29215-55-2; 4H-1-Benzopyran-4-one,5-hydroxy-6,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)-; CHEMBL485823; AK583705; 4H-1-Benzopyran-4-one, 5-hydroxy-6,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)-; CTK4G2949; AC1Q6AID; 5-Hydroxy-6,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)-4H-chromen-4-one; 5-hydroxy-6,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one; SCHEMBL16894613 | C20H20O8 | 388.4 g/mol | COC1=CC(=CC(=C1OC)OC)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)O |
| TCMBANKIN061790 | Antiarol | 3,4,5-trimethoxy-phenol; 3,4,5-trimethoxyphenol; EINECS 211-387-2; KBio1_001663; Spectrum5_000193; KBio3_002096; C10765; DivK1c_006719; Spectrum3_001208; Spectrum4_001487; Phenol, 3,4,5-trimethoxy-; KBioSS_001005; Spectrum_000525; BSPBio_002596; InChI=1/C9H12O4/c1-11-7-4-6(10)5-8(12-2)9(7)13-3/h4-5,10H,1-3H; SPECTRUM200110; KBio2_006141; AI3-38432; 3,4,5-Trimethoxyphenol; CHEBI:2760; KBio2_003573; NCGC00095916-01; ZINC00405113; ST5407843; KBioGR_002093; 642-71-7; KBio2_001005; SpecPlus_000623 | C9H12O4 | 184.19 g/mol | COC1=CC(=CC(=C1OC)OC)O |
| TCMBANKIN061795 | di-o-methylcrenatin | 4-hydroxymethyl-2,6-dimethoxyphenyl-β-D-glucopyranoside | C15H22O9 | 346.33 | COC1=CC(=CC(=C1OC2C(C(C(C(O2)CO)O)O)O)OC)CO |
| TCMBANKIN061838 | 5,7,4'-Trimethylapigenin | Spectrum4_001985; 5631-70-9; 5,7,4'-Trimethoxyflavone; 4',5,7-Trimethoxyflavone; 4',5,7-Trimethyl-apigenin; 4H-1-Benzopyran-4-one, 5,7-dimethoxy-2-(4-methoxyphenyl)-; SPBio_000602; 5,7-dimethoxy-2-(4-methoxyphenyl)-4-chromenone; 5,7,4'-trimethoxyflavone; KBioGR_002516; ST5309227; Spectrum5_001684; 5,7-Dimethoxy-2-(4-methoxyphenyl)-4H-1-benzenopyran-4-one; Flavone, 4',5,7-trimethoxy-; 5,7-dimethoxy-2-(4-methoxyphenyl)chromone; Oprea1_073610; Spectrum3_001138; Spectrum2_000471; 4H-1-Benzenopyran-4-one, 5,7-dimethoxy-2-(4-methoxyphenyl)-; 5,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one; ZINC02566194; BSPBio_002635; KBio3_002135 | C18H16O5 | 312.32 g/mol | COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3OC)OC |
植物对应的疾病
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植物对应的靶点
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