CHEBI:209452 - 6-Methoxy-5(6)-dihydropenicillic acid

ChEBI IDCHEBI:209452
ChEBI Name6-Methoxy-5(6)-dihydropenicillic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H14O4
Net Charge0
Average Mass186.207
Monoisotopic Mass186.08921
SMILESCOC1=CC(=O)O[C@@]1(O)CC(C)C
InChIInChI=1S/C9H14O4/c1-6(2)5-9(11)7(12-3)4-8(10)13-9/h4,6,11H,5H2,1-3H3/t9-/m0/s1
InChIKeyIHSMPASVXBYFRY-VIFPVBQESA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies (ncbitaxon:5065) - DOI (10.1080/00021369.1971.10860199)
ChEBI Ontology
Outgoing Relation(s)
6-Methoxy-5(6)-dihydropenicillic acid (CHEBI:209452) is a butenolide (CHEBI:50523)
IUPAC Name 
5-hydroxy-4-methoxy-5-(2-methylpropyl)uran-2-one
Manual XrefsDatabases
78434844ChemSpider