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CHEBI:184802 - 3,4,5-trihydroxy-6-(3-{3,5,7-trihydroxy-4-[3,5,7-trihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-8-yl]-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-2-yl}phenoxy)oxane-2-carboxylic acid

ChEBI IDCHEBI:184802
ChEBI Name3,4,5-trihydroxy-6-(3-{3,5,7-trihydroxy-4-[3,5,7-trihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-8-yl]-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-2-yl}phenoxy)oxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H44O21
Net Charge0
Average Mass884.793
Monoisotopic Mass884.23751
SMILESO=C(O)C1OC(Oc2cccc(C3Oc4c(C5OC(CO)C(O)C(O)C5O)c(O)cc(O)c4C(c4c(O)cc(O)c5c4OC(c4cccc(O)c4)C(O)C5)C3O)c2)C(O)C(O)C1O
InChIInChI=1S/C42H44O21/c43-12-23-28(50)30(52)32(54)39(60-23)26-21(48)11-20(47)25-27(24-19(46)10-18(45)17-9-22(49)35(61-37(17)24)13-3-1-5-15(44)7-13)29(51)36(62-38(25)26)14-4-2-6-16(8-14)59-42-34(56)31(53)33(55)40(63-42)41(57)58/h1-8,10-11,22-23,27-36,39-40,42-56H,9,12H2,(H,57,58)
InChIKeyQWDSFOWDLHHGEA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
3,4,5-trihydroxy-6-(3-{3,5,7-trihydroxy-4-[3,5,7-trihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-8-yl]-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-2-yl}phenoxy)oxane-2-carboxylic acid (CHEBI:184802) is a flavonoid oligomer (CHEBI:72720)
IUPAC Name 
3,4,5-trihydroxy-6-[3-[3,5,7-trihydroxy-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4-[3,5,7-trihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromen-2-yl]phenoxy]oxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0126848HMDB