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CHEBI:168028 - 9,10-Dihydro-10-(4-hydroxyphenyl)-pyrano[2,3-h]epicatechin-8-one

ChEBI IDCHEBI:168028
ChEBI Name9,10-Dihydro-10-(4-hydroxyphenyl)-pyrano[2,3-h]epicatechin-8-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H20O8
Net Charge0
Average Mass436.416
Monoisotopic Mass436.11582
SMILESO=C1C[C@@H](c2ccc(O)cc2)c2c(cc(O)c3c2O[C@H](c2ccc(O)c(O)c2)[C@H](O)C3)O1
InChIInChI=1S/C24H20O8/c25-13-4-1-11(2-5-13)14-9-21(30)31-20-10-17(27)15-8-19(29)23(32-24(15)22(14)20)12-3-6-16(26)18(28)7-12/h1-7,10,14,19,23,25-29H,8-9H2/t14-,19+,23+/m0/s1
InChIKeyNHAIWTJLRMSZKP-LEDSTXDGSA-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-(4-hydroxyphenyl)-pyrano[2,3-h]epicatechin-8-one (CHEBI:168028) is a catechin (CHEBI:23053)
IUPAC Name 
(2R,3R,10S)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-10-(4-hydroxyphenyl)-3,4,9,10-tetrahydro-2H-pyrano[2,3-]chromen-8-one
Manual XrefsDatabases
LMPK12020082LIPID MAPS
24842553ChemSpider