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CHEBI:186282 - 8-[3,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-6-[3,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

ChEBI IDCHEBI:186282
ChEBI Name8-[3,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-6-[3,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H40O14
Net Charge0
Average Mass816.812
Monoisotopic Mass816.24181
SMILESCOc1cc(C2Oc3cc(O)ccc3C(c3c(O)c4c(c(C5c6ccc(O)cc6OC(c6cccc(O)c6)C5O)c3O)OC(c3cccc(O)c3)C(O)C4)C2O)ccc1O
InChIInChI=1S/C46H40O14/c1-57-34-16-22(8-13-30(34)51)45-41(55)35(27-11-9-25(49)17-32(27)59-45)37-39(53)29-19-31(52)43(20-4-2-6-23(47)14-20)60-46(29)38(40(37)54)36-28-12-10-26(50)18-33(28)58-44(42(36)56)21-5-3-7-24(48)15-21/h2-18,31,35-36,41-45,47-56H,19H2,1H3
InChIKeyXXWKSTIQXSQOPK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
8-[3,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-6-[3,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol (CHEBI:186282) is a flavonoid oligomer (CHEBI:72720)
IUPAC Name 
6-[3,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-8-[3,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-(3-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
Manual XrefsDatabases
HMDB0135032HMDB