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CHEBI:179156 - 6-(3,4-Dihydroxyphenyl)-6a,12b-dihydro-3,10,11,12-tetrahydroxy-[2]benzopyrano[3,4-c]benzopyran-8(6H)-one

ChEBI IDCHEBI:179156
ChEBI Name6-(3,4-Dihydroxyphenyl)-6a,12b-dihydro-3,10,11,12-tetrahydroxy-[2]benzopyrano[3,4-c]benzopyran-8(6H)-one
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H16O9
Net Charge0
Average Mass424.361
Monoisotopic Mass424.07943
SMILES[H][C@]12c3ccc(O)cc3O[C@H](c3ccc(O)c(O)c3)[C@@]1([H])OC(=O)c1cc(O)c(O)c(O)c12
InChIInChI=1S/C22H16O9/c23-9-2-3-10-15(6-9)30-20(8-1-4-12(24)13(25)5-8)21-17(10)16-11(22(29)31-21)7-14(26)18(27)19(16)28/h1-7,17,20-21,23-28H/t17-,20-,21+/m1/s1
InChIKeyWEZKOSOKVUPYJW-UIFIKXQLSA-N
ChEBI Ontology
Outgoing Relation(s)
6-(3,4-Dihydroxyphenyl)-6a,12b-dihydro-3,10,11,12-tetrahydroxy-[2]benzopyrano[3,4-c]benzopyran-8(6H)-one (CHEBI:179156) is a hydroxyflavan (CHEBI:72010)
IUPAC Name 
(6R,6aS,12bR)-6-(3,4-dihydroxyphenyl)-3,10,11,12-tetrahydroxy-6a,12b-dihydro-6H-isochromeno[3,4-c]chromen-8-one
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