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CHEBI:198903 - Rezishanone A

ChEBI IDCHEBI:198903
ChEBI NameRezishanone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H22O7
Net Charge0
Average Mass362.378
Monoisotopic Mass362.13655
SMILESC/C=C/C=C/C(O)=C1\C(=O)[C@]2(C)C(=O)[C@@](C)(O)[C@H]1[C@@H]1OC(=O)C[C@@]12CO
InChIInChI=1S/C19H22O7/c1-4-5-6-7-10(21)12-13-15-19(9-20,8-11(22)26-15)17(2,14(12)23)16(24)18(13,3)25/h4-7,13,15,20-21,25H,8-9H2,1-3H3/b5-4+,7-6+,12-10+/t13-,15+,17-,18+,19-/m1/s1
InChIKeyXFMFIGWGIQJRSI-SNOQOWJFSA-N
Species of MetaboliteComponentSourceComments
Penicillium chrysogenum (ncbitaxon:5076) - PubMed (15974609)
ChEBI Ontology
Outgoing Relation(s)
Rezishanone A (CHEBI:198903) is a γ-lactone (CHEBI:37581)
IUPAC Name 
(1R,2S,6R,7R,9S,10E)-9-hydroxy-10-[(2E,4E)-1-hydroxyhexa-2,4-dienylidene]-6-(hydroxymethyl)-7,9-dimethyl-3-oxatricyclo[5.2.2.02,6]undecane-4,8,11-trione