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CHEBI:228897 - Peucedanol

Default Structure
ChEBI IDCHEBI:228897
ChEBI NamePeucedanol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H16O5
Net Charge0
Average Mass264.277
Monoisotopic Mass264.09977
SMILESCC(C)(O)C(O)Cc1cc2ccc(=O)oc2cc1O
InChIInChI=1S/C14H16O5/c1-14(2,18)12(16)6-9-5-8-3-4-13(17)19-11(8)7-10(9)15/h3-5,7,12,15-16,18H,6H2,1-2H3
InChIKeyWRTWKAQFZYXAEJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
ChEBI Ontology
Outgoing Relation(s)
Peucedanol (CHEBI:228897) is a hydroxycoumarin (CHEBI:37912)
IUPAC Name 
6-(2,3-dihydroxy-3-methylbutyl)-7-hydroxychromen-2-one
Manual XrefsDatabases
4524240ChemSpider