CHEBI:53395 - penicillic acid

ChEBI IDCHEBI:53395
ChEBI Namepenicillic acid
Stars
Last Modified3 August 2014
Submitterzjosephs
DownloadsMolfile
FormulaC8H10O4
Net Charge0
Average Mass170.164
Monoisotopic Mass170.05791
SMILESC=C(C)C(=O)C(=CC(=O)O)OC
InChIInChI=1S/C8H10O4/c1-5(2)8(11)6(12-3)4-7(9)10/h4H,1H2,2-3H3,(H,9,10)
InChIKeyVOUGEZYPVGAPBB-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
penicillic acid (CHEBI:53395) is a butenolide (CHEBI:50523)
IUPAC Name 
(2Z)-3-methoxy-5-methyl-4-oxohexa-2,5-dienoic acid
Synonyms  Source
PAChemIDplus
3-Methoxy-5-methyl-4-oxohexa-2,5-dienoic acidChemIDplus
3-Methoxy-5-methyl-4-oxo-2,5-hexadienoic acidKEGG COMPOUND
Manual XrefsDatabases
C16804KEGG COMPOUND
C19495KEGG COMPOUND
Registry NumbersSources
CAS:90-65-3ChemIDplus
CAS:17397-87-4KEGG COMPOUND
CAS:90-65-3KEGG COMPOUND