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CHEBI:186301 - 2-(3-hydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-8-yl]-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

ChEBI IDCHEBI:186301
ChEBI Name2-(3-hydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-8-yl]-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H36O15
Net Charge0
Average Mass708.669
Monoisotopic Mass708.20542
SMILESOCC1OC(c2c(O)cc3c(c2O)C(c2c(O)cc(O)c4c2OC(c2cccc(O)c2)C(O)C4)C(O)C(c2cccc(O)c2)O3)C(O)C(O)C1O
InChIInChI=1S/C36H36O15/c37-12-23-28(44)31(47)32(48)36(50-23)25-20(42)11-22-26(29(25)45)27(30(46)34(49-22)14-4-2-6-16(39)8-14)24-19(41)10-18(40)17-9-21(43)33(51-35(17)24)13-3-1-5-15(38)7-13/h1-8,10-11,21,23,27-28,30-34,36-48H,9,12H2
InChIKeyAYEWGJVSRMQVAT-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)
2-(3-hydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-8-yl]-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol (CHEBI:186301) is a flavonoid oligomer (CHEBI:72720)
IUPAC Name 
2-(3-hydroxyphenyl)-6-[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-chromene-3,5,7-triol
Manual XrefsDatabases
HMDB0126748HMDB