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CHEBI:207767 - Cercosporene A

ChEBI IDCHEBI:207767
ChEBI NameCercosporene A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H26O5
Net Charge0
Average Mass346.423
Monoisotopic Mass346.17802
SMILESCC(C)C1=C(O)C(=O)C2=CC3=C(CO)C(=O)[C@H](O)C[C@@]3(C)CC[C@@]21C
InChIInChI=1S/C20H26O5/c1-10(2)15-18(25)17(24)13-7-12-11(9-21)16(23)14(22)8-19(12,3)5-6-20(13,15)4/h7,10,14,21-22,25H,5-6,8-9H2,1-4H3/t14-,19-,20+/m1/s1
InChIKeyKHEZYAOQSJJFOU-XMCHAPAWSA-N
Species of MetaboliteComponentSourceComments
Cercosporaspecies (ncbitaxon:1707699) - PubMed (24576210)
ChEBI Ontology
Outgoing Relation(s)
Cercosporene A (CHEBI:207767) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(3aR,5aR,7R)-2,7-dihydroxy-9-(hydroxymethyl)-3a,5a-dimethyl-3-propan-2-yl-4,5,6,7-tetrahydrobenzo[g]azulene-1,8-dione
Manual XrefsDatabases
34236892ChemSpider