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CHEBI:207742 - Cercosporene C

ChEBI IDCHEBI:207742
ChEBI NameCercosporene C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H26O4
Net Charge0
Average Mass330.424
Monoisotopic Mass330.18311
SMILESCC(C)[C@H]1CC(=O)C2=CC3=C(CO)C(=O)C(O)=C[C@@]3(C)CC[C@@]21C
InChIInChI=1S/C20H26O4/c1-11(2)13-8-16(22)15-7-14-12(10-21)18(24)17(23)9-19(14,3)5-6-20(13,15)4/h7,9,11,13,21,23H,5-6,8,10H2,1-4H3/t13-,19-,20-/m1/s1
InChIKeyZMQGQTKRCUHYLP-SMHULIPUSA-N
Species of MetaboliteComponentSourceComments
Cercosporaspecies (ncbitaxon:1707699) - PubMed (24576210)
ChEBI Ontology
Outgoing Relation(s)
Cercosporene C (CHEBI:207742) is a cyclic ketone (CHEBI:3992)
IUPAC Name 
(3R,3aR,5aR)-7-hydroxy-9-(hydroxymethyl)-3a,5a-dimethyl-3-propan-2-yl-2,3,4,5-tetrahydrobenzo[g]azulene-1,8-dione
Manual XrefsDatabases
34236894ChemSpider