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CHEBI:206717 - Pyrenochaetic acid B

ChEBI IDCHEBI:206717
ChEBI NamePyrenochaetic acid B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H16O5
Net Charge0
Average Mass252.266
Monoisotopic Mass252.09977
SMILESCOc1cc(C(=O)O)cc(C)c1C(=O)C[C@H](C)O
InChIInChI=1S/C13H16O5/c1-7-4-9(13(16)17)6-11(18-3)12(7)10(15)5-8(2)14/h4,6,8,14H,5H2,1-3H3,(H,16,17)/t8-/m0/s1
InChIKeyISUCSLSQOIOUHP-QMMMGPOBSA-N
Species of MetaboliteComponentSourceComments
Setophoma terrestris (ncbitaxon:798162) - DOI (10.1271/bbb1961.45.1675)
ChEBI Ontology
Outgoing Relation(s)
Pyrenochaetic acid B (CHEBI:206717) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
4-(3-hydroxybutanoyl)-3-methoxy-5-methylbenzoic acid
Manual XrefsDatabases
26538075ChemSpider