CHEBI:216343 - Penicanone

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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 Penicanone
ChEBI ID CHEBI:216343
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C17H20O6
Net Charge 0
Average Mass 320.341
Monoisotopic Mass 320.12599
InChI InChI=1S/C17H20O6/c1-8-5-3-4-6-9-13(19)12(8)10-7-11(18)16(2,22)15(21)17(10,23)14(9)20/h3-9,12,14-15,20-23H,1-2H3/b5-3-,6-4-/t8-,9-,12-,14+,15+,16+,17+/m0/s1
InChIKey PAYDTYHOEMYWDY-UYUJJTBHSA-N
SMILES O=C1C=C2[C@@](O)([C@H](O)[C@H]3C=CC=C[C@@H]([C@@H]2C3=O)C)[C@@H]([C@@]1(O)C)O
Metabolite of Species Details
Penicillium canescens (NCBI:txid5083) See: PubMed
ChEBI Ontology
Outgoing Penicanone (CHEBI:216343) is a cyclohexenones (CHEBI:48953)
IUPAC Name
(1S,5S,6S,7R,8R,9R,10Z,12Z,14S)-5,6,7,8-tetrahydroxy-5,14-dimethyltricyclo[7.5.1.02,7]pentadeca-2,10,12-triene-4,15-dione