CHEBI:210885 - Penicillenone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Penicillenone
ChEBI ID CHEBI:210885
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H16O6
Net Charge 0
Average Mass 304.298
Monoisotopic Mass 304.09469
InChI 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
InChIKey XHDBNNITLMCRAU-OMACXJQVSA-N
SMILES O=C1/C(/C(=CC([C@]1(O)C)=O)C)=C(\O)/C2=C(O)C=C(OC)C=C2
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: PubMed
ChEBI Ontology
Outgoing Penicillenone (CHEBI:210885) is a methoxybenzenes (CHEBI:51683)
Penicillenone (CHEBI:210885) is a phenols (CHEBI:33853)
IUPAC Name
(2R,6Z)-2-hydroxy-6-[hydroxy-(2-hydroxy-4-methoxyphenyl)methylidene]-2,5-dimethylcyclohex-4-ene-1,3-dione
Manual Xref Database
27023667 ChemSpider
View more database links