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CHEBI:216343 - Penicanone

ChEBI IDCHEBI:216343
ChEBI NamePenicanone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H20O6
Net Charge0
Average Mass320.341
Monoisotopic Mass320.12599
SMILESC[C@H]1/C=C\C=C/[C@H]2C(=O)[C@@H]1C1=CC(=O)[C@@](C)(O)[C@@H](O)[C@]1(O)[C@@H]2O
InChIInChI=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
InChIKeyPAYDTYHOEMYWDY-UYUJJTBHSA-N
Species of MetaboliteComponentSourceComments
Penicillium canescens (ncbitaxon:5083) - PubMed (32118426)
ChEBI Ontology
Outgoing Relation(s)
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