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CHEBI:93861 - 5-[[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-2-oxanyl)oxy]-2-oxanyl]oxy]-7,8-dimethoxy-3-(4-methoxyphenyl)-1-benzopyran-4-one

ChEBI IDCHEBI:93861
ChEBI Name5-[[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-2-oxanyl)oxy]-2-oxanyl]oxy]-7,8-dimethoxy-3-(4-methoxyphenyl)-1-benzopyran-4-one
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Last Modified2 April 2018
DownloadsMolfile
FormulaC29H34O15
Net Charge0
Average Mass622.576
Monoisotopic Mass622.18977
SMILESCOc1ccc(-c2coc3c(OC)c(OC)cc(OC4OC(CO)C(O)C(O)C4OC4OCC(O)C(O)C4O)c3c2=O)cc1
InChIInChI=1S/C29H34O15/c1-37-13-6-4-12(5-7-13)14-10-40-26-19(20(14)32)16(8-17(38-2)25(26)39-3)42-29-27(23(35)22(34)18(9-30)43-29)44-28-24(36)21(33)15(31)11-41-28/h4-8,10,15,18,21-24,27-31,33-36H,9,11H2,1-3H3
InChIKeyNGUSMSQYMDPBGF-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
5-[[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-2-oxanyl)oxy]-2-oxanyl]oxy]-7,8-dimethoxy-3-(4-methoxyphenyl)-1-benzopyran-4-one (CHEBI:93861) is a 4'-methoxyisoflavones (CHEBI:133959)
5-[[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-2-oxanyl)oxy]-2-oxanyl]oxy]-7,8-dimethoxy-3-(4-methoxyphenyl)-1-benzopyran-4-one (CHEBI:93861) is a 7-methoxyisoflavones (CHEBI:140356)
Manual XrefsDatabases
LSM-4431LINCS