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CHEBI:169268 - Pebrellin

ChEBI IDCHEBI:169268
ChEBI NamePebrellin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H18O8
Net Charge0
Average Mass374.345
Monoisotopic Mass374.10017
SMILESCOc1ccc(-c2cc(=O)c3c(O)c(O)c(OC)c(OC)c3o2)cc1OC
InChIInChI=1S/C19H18O8/c1-23-11-6-5-9(7-13(11)24-2)12-8-10(20)14-15(21)16(22)18(25-3)19(26-4)17(14)27-12/h5-8,21-22H,1-4H3
InChIKeyAREVFHPDZQHBHI-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)
Pebrellin (CHEBI:169268) is a ether (CHEBI:25698)
Pebrellin (CHEBI:169268) is a flavonoids (CHEBI:72544)
IUPAC Name 
2-(3,4-dimethoxyphenyl)-5,6-dihydroxy-7,8-dimethoxychromen-4-one
Manual XrefsDatabases
LMPK12111486LIPID MAPS
548972ChemSpider
HMDB0029546HMDB