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CHEBI:168500 - 9,10-Dihydro-10-(3,4-dihydroxyphenyl)-pyrano[2,3-h]catechin-8-one

ChEBI IDCHEBI:168500
ChEBI Name9,10-Dihydro-10-(3,4-dihydroxyphenyl)-pyrano[2,3-h]catechin-8-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H20O9
Net Charge0
Average Mass452.415
Monoisotopic Mass452.11073
SMILESO=C1C[C@H](c2ccc(O)c(O)c2)c2c(cc(O)c3c2O[C@H](c2ccc(O)c(O)c2)[C@@H](O)C3)O1
InChIInChI=1S/C24H20O9/c25-14-3-1-10(5-17(14)28)12-8-21(31)32-20-9-16(27)13-7-19(30)23(33-24(13)22(12)20)11-2-4-15(26)18(29)6-11/h1-6,9,12,19,23,25-30H,7-8H2/t12-,19+,23-/m1/s1
InChIKeyLKCOZWLUAKSRQM-MSVHQQNVSA-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)
9,10-Dihydro-10-(3,4-dihydroxyphenyl)-pyrano[2,3-h]catechin-8-one (CHEBI:168500) is a catechin (CHEBI:23053)
IUPAC Name 
(2R,3S,10R)-2,10-bis(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4,9,10-tetrahydro-2H-pyrano[2,3-]chromen-8-one
Manual XrefsDatabases
LMPK12020083LIPID MAPS
8519295ChemSpider