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CHEBI:203857 - Cercosporene B

ChEBI IDCHEBI:203857
ChEBI NameCercosporene B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H26O5
Net Charge0
Average Mass346.423
Monoisotopic Mass346.17802
SMILESCC1=C2C=C3C(=O)C(O)=C([C@H](C)CO)[C@@]3(C)CC[C@]2(C)C[C@@H](O)C1=O
InChIInChI=1S/C20H26O5/c1-10(9-21)15-18(25)17(24)13-7-12-11(2)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/t10-,14-,19-,20+/m1/s1
InChIKeyXUINLCMVOIWOKB-WQILTUSXSA-N
Species of MetaboliteComponentSourceComments
Cercosporaspecies (ncbitaxon:1707699) - PubMed (24576210)
ChEBI Ontology
Outgoing Relation(s)
Cercosporene B (CHEBI:203857) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(3aR,5aR,7R)-2,7-dihydroxy-3-[(2S)-1-hydroxypropan-2-yl]-3a,5a,9-trimethyl-4,5,6,7-tetrahydrobenzo[g]azulene-1,8-dione
Manual XrefsDatabases
34236893ChemSpider