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CHEBI:185157 - 6-(3-{8-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-4-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl}phenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:185157
ChEBI Name6-(3-{8-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-4-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl}phenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H44O22
Net Charge0
Average Mass900.792
Monoisotopic Mass900.23242
SMILESO=C(O)C1OC(Oc2cccc(C3Oc4c(c(O)cc(O)c4C4c5c(O)cc(O)c(C6OC(CO)C(O)C(O)C6O)c5OC(c5ccc(O)c(O)c5)C4O)CC3O)c2)C(O)C(O)C1O
InChIInChI=1S/C42H44O22/c43-11-23-28(51)30(53)32(55)39(61-23)26-21(49)10-20(48)25-27(29(52)36(63-38(25)26)13-4-5-16(44)18(46)7-13)24-19(47)9-17(45)15-8-22(50)35(62-37(15)24)12-2-1-3-14(6-12)60-42-34(57)31(54)33(56)40(64-42)41(58)59/h1-7,9-10,22-23,27-36,39-40,42-57H,8,11H2,(H,58,59)
InChIKeyKODIUHQQFDXEKV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
6-(3-{8-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-4-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl}phenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:185157) is a flavonoid oligomer (CHEBI:72720)
IUPAC Name 
6-[3-[8-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-chromen-4-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0126838HMDB