Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 08:54:33 UTC
Update Date2022-08-31 06:44:26 UTC
Metabolite IDMMDBc0018731
Metabolite Identification
Common NamePenicillenone
DescriptionPenicillenone belongs to the class of organic compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. Based on a literature review very few articles have been published on Penicillenone.
Structure
SynonymsNot Available
Molecular FormulaC16H16O6
Average Mass304.298
Monoisotopic Mass304.094688235
IUPAC Name(2R,6Z)-2-hydroxy-6-[hydroxy(2-hydroxy-4-methoxyphenyl)methylidene]-2,5-dimethylcyclohex-4-ene-1,3-dione
Traditional Name(2R,6Z)-2-hydroxy-6-[hydroxy(2-hydroxy-4-methoxyphenyl)methylidene]-2,5-dimethylcyclohex-4-ene-1,3-dione
CAS Registry NumberNot Available
SMILES
COC1=CC(O)=C(C=C1)C(\O)=C1/C(C)=CC(=O)[C@@](C)(O)C1=O
InChI Identifier
InChI=1S/C16H16O6/c1-8-6-12(18)16(2,21)15(20)13(8)14(19)10-5-4-9(22-3)7-11(10)17/h4-7,17,19,21H,1-3H3/b14-13-/t16-/m1/s1
InChI KeyXHDBNNITLMCRAU-OMACXJQVSA-N