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CHEBI:206966 - Eupenicinicol C

ChEBI IDCHEBI:206966
ChEBI NameEupenicinicol C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H32N2O4
Net Charge0
Average Mass364.486
Monoisotopic Mass364.23621
SMILESCC[C@@H](C)[C@H]1C=C[C@H]2[C@H](O)[C@H](O)C[C@@H](C)[C@@H]2[C@@]1(C)C(=O)/C=C\NC(N)=O
InChIInChI=1S/C20H32N2O4/c1-5-11(2)14-7-6-13-17(12(3)10-15(23)18(13)25)20(14,4)16(24)8-9-22-19(21)26/h6-9,11-15,17-18,23,25H,5,10H2,1-4H3,(H3,21,22,26)/b9-8-/t11-,12-,13-,14-,15-,17+,18+,20-/m1/s1
InChIKeyUEHWIVHNYSCUMK-KMMCLRTESA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies LG41 (ncbitaxon:1564184) - PubMed (28333449)
ChEBI Ontology
Outgoing Relation(s)
Eupenicinicol C (CHEBI:206966) is a enone (CHEBI:51689)
IUPAC Name 
[(Z)-3-[(1S,2S,4aR,5S,6R,8R,8aS)-2-[(2R)-butan-2-yl]-5,6-dihydroxy-1,8-dimethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-3-oxoprop-1-enyl]urea
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