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CHEBI:169776 - 2,3-Dihydro-5,5',7,7'-tetrahydroxy-2-(4-hydroxyphenyl)[3,8'-bi-4H-1-benzopyran]-4,4'-dione

ChEBI IDCHEBI:169776
ChEBI Name2,3-Dihydro-5,5',7,7'-tetrahydroxy-2-(4-hydroxyphenyl)[3,8'-bi-4H-1-benzopyran]-4,4'-dione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H16O9
Net Charge0
Average Mass448.383
Monoisotopic Mass448.07943
SMILESO=C1c2c(O)cc(O)cc2OC(c2ccc(O)cc2)C1c1c(O)cc(O)c2c(=O)ccoc12
InChIInChI=1S/C24H16O9/c25-11-3-1-10(2-4-11)23-21(22(31)19-14(28)7-12(26)8-17(19)33-23)20-16(30)9-15(29)18-13(27)5-6-32-24(18)20/h1-9,21,23,25-26,28-30H
InChIKeyWNBLZPGLZHQKPS-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
2,3-Dihydro-5,5',7,7'-tetrahydroxy-2-(4-hydroxyphenyl)[3,8'-bi-4H-1-benzopyran]-4,4'-dione (CHEBI:169776) is a isoflavonoid (CHEBI:50753)
IUPAC Name 
8-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-5,7-dihydroxychromen-4-one
Manual XrefsDatabases
35014400ChemSpider
HMDB0037323HMDB