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CHEBI:225299 - Penicyrone A

ChEBI IDCHEBI:225299
ChEBI NamePenicyrone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H34O7
Net Charge0
Average Mass434.529
Monoisotopic Mass434.23045
SMILESCOc1c(C)c([C@@](C)(O)C=C(C)[C@@H](O)C(C)=C[C@]2(C)O[C@H](C)[C@@]3(C)O[C@H]32)oc(=O)c1C
InChIInChI=1S/C24H34O7/c1-12(10-22(6,27)19-14(3)18(28-9)15(4)20(26)29-19)17(25)13(2)11-23(7)21-24(8,31-21)16(5)30-23/h10-11,16-17,21,25,27H,1-9H3/t16-,17-,21+,22+,23+,24-/m1/s1
InChIKeyYAEGHQJYDLCTMR-WMYFJUEFSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (26243556)
ChEBI Ontology
Outgoing Relation(s)
Penicyrone A (CHEBI:225299) is a pyranone (CHEBI:37963)
IUPAC Name 
6-[(2S,5R)-2,5-dihydroxy-4,6-dimethyl-7-[(1S,2S,4R,5R)-2,4,5-trimethyl-3,6-dioxabicyclo[3.1.0]hexan-2-yl]hepta-3,6-dien-2-yl]-4-methoxy-3,5-dimethylpyran-2-one
Manual XrefsDatabases
78438749ChemSpider