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CHEBI:169416 - Pinocembrin 7-O-benzoate

ChEBI IDCHEBI:169416
ChEBI NamePinocembrin 7-O-benzoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H16O5
Net Charge0
Average Mass360.365
Monoisotopic Mass360.09977
SMILESO=C(Oc1cc(O)c2c(c1)OC(c1ccccc1)CC2=O)c1ccccc1
InChIInChI=1S/C22H16O5/c23-17-11-16(26-22(25)15-9-5-2-6-10-15)12-20-21(17)18(24)13-19(27-20)14-7-3-1-4-8-14/h1-12,19,23H,13H2
InChIKeyFQYXLHNQZRKBPK-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)
Pinocembrin 7-O-benzoate (CHEBI:169416) is a flavanones (CHEBI:28863)
IUPAC Name 
(5-hydroxy-4-oxo-2-phenyl-2,3-dihydrochromen-7-yl) benzoate
Manual XrefsDatabases
24846340ChemSpider
LMPK12140221LIPID MAPS