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CHEBI:200181 - Pestaloficiol J

ChEBI IDCHEBI:200181
ChEBI NamePestaloficiol J
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H20O3
Net Charge0
Average Mass260.333
Monoisotopic Mass260.14124
SMILESCC(C)=CCc1cc(O)cc2c1OC(C)(C)CC2=O
InChIInChI=1S/C16H20O3/c1-10(2)5-6-11-7-12(17)8-13-14(18)9-16(3,4)19-15(11)13/h5,7-8,17H,6,9H2,1-4H3
InChIKeyMQRXYQNCQPECMC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis fici (ncbitaxon:393283) - PubMed (19618920)
ChEBI Ontology
Outgoing Relation(s)
Pestaloficiol J (CHEBI:200181) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
6-hydroxy-2,2-dimethyl-8-(3-methylbut-2-enyl)-3H-chromen-4-one
Manual XrefsDatabases
24660488ChemSpider