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CHEBI:226533 - Cercosporene D

ChEBI IDCHEBI:226533
ChEBI NameCercosporene D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O4
Net Charge0
Average Mass332.440
Monoisotopic Mass332.19876
SMILESC[C@H](CO)[C@H]1CC(=O)[C@@H]2[C@H]3OCC4=C3[C@@](C)(CCC4=O)CC[C@]12C
InChIInChI=1S/C20H28O4/c1-11(9-21)13-8-15(23)17-18-16-12(10-24-18)14(22)4-5-19(16,2)6-7-20(13,17)3/h11,13,17-18,21H,4-10H2,1-3H3/t11-,13-,17-,18+,19+,20-/m1/s1
InChIKeyANRAXLRJQHJXCL-WVJPDEFNSA-N
Species of MetaboliteComponentSourceComments
Cercosporaspecies (ncbitaxon:1707699) - PubMed (24576210)
ChEBI Ontology
Outgoing Relation(s)
Cercosporene D (CHEBI:226533) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(1R,2S,5R,6R,9R)-5-[(2S)-1-hydroxypropan-2-yl]-6,9-dimethyl-15-oxatetracyclo[7.6.1.02,6.013,16]hexadec-13(16)-ene-3,12-dione
Manual XrefsDatabases
34236895ChemSpider