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CHEBI:206172 - Pestalochromone C

ChEBI IDCHEBI:206172
ChEBI NamePestalochromone C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC11H11ClO3
Net Charge0
Average Mass226.659
Monoisotopic Mass226.03967
SMILESCC1(C)CC(=O)c2cc(O)cc(Cl)c2O1
InChIInChI=1S/C11H11ClO3/c1-11(2)5-9(14)7-3-6(13)4-8(12)10(7)15-11/h3-4,13H,5H2,1-2H3
InChIKeyPWQMDQRKRVDIMZ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis (ncbitaxon:37840) - DOI (10.1016/j.tet.2012.01.041)
ChEBI Ontology
Outgoing Relation(s)
Pestalochromone C (CHEBI:206172) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
8-chloro-6-hydroxy-2,2-dimethyl-3H-chromen-4-one
Manual XrefsDatabases
29214647ChemSpider