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CHEBI:198212 - Cercosporene F

ChEBI IDCHEBI:198212
ChEBI NameCercosporene F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H52O8
Net Charge0
Average Mass660.848
Monoisotopic Mass660.36622
SMILESCC(C)C1=C(O)C(=O)C2=CC3=C(CCC4=C5CC6=C(O)C(=O)[C@H](C(C)C)[C@@]6(C)CC[C@]5(C)C[C@H](O)C4=O)C(=O)[C@H](O)C[C@@]3(C)CC[C@@]21C
InChIInChI=1S/C40H52O8/c1-19(2)29-35(47)33(45)25-15-23-21(31(43)27(41)17-37(23,5)11-13-39(25,29)7)9-10-22-24-16-26-34(46)36(48)30(20(3)4)40(26,8)14-12-38(24,6)18-28(42)32(22)44/h15,19-20,27-28,30,41-42,46-47H,9-14,16-18H2,1-8H3/t27-,28+,30+,37-,38-,39+,40+/m1/s1
InChIKeyVOGUQGKZIRVTPC-VQDGCAADSA-N
Species of MetaboliteComponentSourceComments
Cercosporaspecies (ncbitaxon:1707699) - PubMed (24576210)
ChEBI Ontology
Outgoing Relation(s)
Cercosporene F (CHEBI:198212) is a sesquarterpenoid (CHEBI:51961)
IUPAC Name 
(3aR,5aR,7R)-9-[2-[(3R,3aR,5aR,7S)-1,7-dihydroxy-3a,5a-dimethyl-2,8-dioxo-3-propan-2-yl-3,4,5,6,7,10-hexahydrobenzo[]azulen-9-yl]ethyl]-2,7-dihydroxy-3a,5a-dimethyl-3-propan-2-yl-4,5,6,7-tetrahydrobenzo[g]azulene-1,8-dione
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