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CHEBI:215009 - Heterocornol D

ChEBI IDCHEBI:215009
ChEBI NameHeterocornol D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H12O4
Net Charge0
Average Mass220.224
Monoisotopic Mass220.07356
SMILESCC(O)C1C=Cc2cccc(O)c2C(=O)O1
InChIInChI=1S/C12H12O4/c1-7(13)10-6-5-8-3-2-4-9(14)11(8)12(15)16-10/h2-7,10,13-14H,1H3
InChIKeyZFWYAHQQHOCATC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis heterocornis (ncbitaxon:285113) - PubMed (28675830)
ChEBI Ontology
Outgoing Relation(s)
Heterocornol D (CHEBI:215009) is a oxacycle (CHEBI:38104)
IUPAC Name 
9-hydroxy-3-(1-hydroxyethyl)-3H-2-benzoxepin-1-one
Manual XrefsDatabases
63002650ChemSpider