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CHEBI:212054 - Agropyrenal

ChEBI IDCHEBI:212054
ChEBI NameAgropyrenal
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SubmitterMetaboLights
DownloadsMolfile
FormulaC13H12O3
Net Charge0
Average Mass216.236
Monoisotopic Mass216.07864
SMILESCOc1c(O)ccc2c(C)ccc(C=O)c12
InChIInChI=1S/C13H12O3/c1-8-3-4-9(7-14)12-10(8)5-6-11(15)13(12)16-2/h3-7,15H,1-2H3
InChIKeyKFDMSWALCGJIMY-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Ascochyta (ncbitaxon:5453) - PubMed (22525222)
ChEBI Ontology
Outgoing Relation(s)
Agropyrenal (CHEBI:212054) is a naphthols (CHEBI:25392)
IUPAC Name 
7-hydroxy-8-methoxy-4-methylnaphthalene-1-carbaldehyde
Manual XrefsDatabases
60831603ChemSpider