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CHEBI:184438 - 8-[3,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-6-[2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

ChEBI IDCHEBI:184438
ChEBI Name8-[3,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-6-[2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H40O15
Net Charge0
Average Mass832.811
Monoisotopic Mass832.23672
SMILESCOc1cc(C2Oc3cc(O)ccc3C(c3c(O)c(C4c5ccc(O)cc5OC(c5ccc(O)c(O)c5)C4O)c(O)c4c3OC(c3cccc(O)c3)C(O)C4)C2O)ccc1O
InChIInChI=1S/C46H40O15/c1-58-34-15-21(6-12-29(34)51)45-42(57)36(26-10-8-24(49)17-33(26)60-45)38-40(55)37(39(54)27-18-31(53)43(61-46(27)38)19-3-2-4-22(47)13-19)35-25-9-7-23(48)16-32(25)59-44(41(35)56)20-5-11-28(50)30(52)14-20/h2-17,31,35-36,41-45,47-57H,18H2,1H3
InChIKeyKKQKPSVKPFVKOV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
8-[3,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-6-[2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol (CHEBI:184438) is a flavonoid oligomer (CHEBI:72720)
IUPAC Name 
8-[3,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-6-[2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-chromen-4-yl]-2-(3-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
Manual XrefsDatabases
HMDB0135007HMDB