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CHEBI:186321 - 6a,12b-Dihydro-3,10,11,12-tetrahydroxy-6-(3,4,5-trihydroxyphenyl)-[2]benzopyrano[3,4-c]benzopyran-8(6H)-one

ChEBI IDCHEBI:186321
ChEBI Name6a,12b-Dihydro-3,10,11,12-tetrahydroxy-6-(3,4,5-trihydroxyphenyl)-[2]benzopyrano[3,4-c]benzopyran-8(6H)-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H16O10
Net Charge0
Average Mass440.360
Monoisotopic Mass440.07435
SMILES[H][C@]12c3ccc(O)cc3O[C@H](c3cc(O)c(O)c(O)c3)[C@@]1([H])OC(=O)c1cc(O)c(O)c(O)c12
InChIInChI=1S/C22H16O10/c23-8-1-2-9-14(5-8)31-20(7-3-11(24)17(27)12(25)4-7)21-16(9)15-10(22(30)32-21)6-13(26)18(28)19(15)29/h1-6,16,20-21,23-29H/t16-,20-,21+/m1/s1
InChIKeyFDVGUFRMRNGBAK-HBGVWJBISA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
6a,12b-Dihydro-3,10,11,12-tetrahydroxy-6-(3,4,5-trihydroxyphenyl)-[2]benzopyrano[3,4-c]benzopyran-8(6H)-one (CHEBI:186321) is a hydroxyflavan (CHEBI:72010)
IUPAC Name 
(6R,6aS,12bR)-3,10,11,12-tetrahydroxy-6-(3,4,5-trihydroxyphenyl)-6a,12b-dihydro-6H-isochromeno[3,4-c]chromen-8-one
Manual XrefsDatabases
24842499ChemSpider
LMPK12020016LIPID MAPS