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CHEBI:206316 - Pyrenochaetic acid D

ChEBI IDCHEBI:206316
ChEBI NamePyrenochaetic acid D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H16O5
Net Charge0
Average Mass252.266
Monoisotopic Mass252.09977
SMILESCC[C@@H](O)C(=O)c1c(C)cc(C(=O)O)cc1OC
InChIInChI=1S/C13H16O5/c1-4-9(14)12(15)11-7(2)5-8(13(16)17)6-10(11)18-3/h5-6,9,14H,4H2,1-3H3,(H,16,17)/t9-/m1/s1
InChIKeyDYNJXWQSYFQHGS-SECBINFHSA-N
Species of MetaboliteComponentSourceComments
Curvularia (ncbitaxon:5502) - PubMed (22924340)
ChEBI Ontology
Outgoing Relation(s)
Pyrenochaetic acid D (CHEBI:206316) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
4-[(2R)-2-hydroxybutanoyl]-3-methoxy-5-methylbenzoic acid
Manual XrefsDatabases
78438404ChemSpider