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CHEBI:222176 - Pyrenochaetic acid E

ChEBI IDCHEBI:222176
ChEBI NamePyrenochaetic acid E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H16O5
Net Charge0
Average Mass252.266
Monoisotopic Mass252.09977
SMILESCOc1cc(C(=O)O)cc(C)c1C(=O)CCCO
InChIInChI=1S/C13H16O5/c1-8-6-9(13(16)17)7-11(18-2)12(8)10(15)4-3-5-14/h6-7,14H,3-5H2,1-2H3,(H,16,17)
InChIKeyPWLXDKUWXOPAHE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Alternariaspecies (ncbitaxon:1715220) - PubMed (25265160)
ChEBI Ontology
Outgoing Relation(s)
Pyrenochaetic acid E (CHEBI:222176) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
4-(4-hydroxybutanoyl)-3-methoxy-5-methylbenzoic acid
Manual XrefsDatabases
78435481ChemSpider