CHEBI:225089 - Sorrentanone

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 Sorrentanone
ChEBI ID CHEBI:225089
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C14H14O4
Net Charge 0
Average Mass 246.262
Monoisotopic Mass 246.08921
InChI InChI=1S/C14H14O4/c1-4-5-6-7-10(15)11-8(2)13(17)14(18)9(3)12(11)16/h4-7,16H,1-3H3/b5-4+,7-6+
InChIKey QPJFEVOJXXMYHH-YTXTXJHMSA-N
SMILES O=C1C(=O)C(=C(C(=O)/C=C/C=C/C)C(=C1C)O)C
Metabolite of Species Details
Penicillium chrysogenum (NCBI:txid5076) See: PubMed
ChEBI Ontology
Outgoing Sorrentanone (CHEBI:225089) is a benzoquinones (CHEBI:22729)
Sorrentanone (CHEBI:225089) is a orthoquinones (CHEBI:25622)
IUPAC Name
4-[(2E,4E)-hexa-2,4-dienoyl]-5-hydroxy-3,6-dimethylcyclohexa-3,5-diene-1,2-dione
Manual Xref Database
9951336 ChemSpider
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