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CHEBI:38239 - solanapyrone C

ChEBI IDCHEBI:38239
ChEBI Namesolanapyrone C
Stars
Last Modified7 September 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC19H25NO4
Net Charge0
Average Mass331.412
Monoisotopic Mass331.17836
SMILES[H]C(=O)c1c(NCCO)cc([C@@H]2[C@@H](C)C=C[C@@]3([H])CCCC[C@@]23[H])oc1=O
InChIInChI=1S/C19H25NO4/c1-12-6-7-13-4-2-3-5-14(13)18(12)17-10-16(20-8-9-21)15(11-22)19(23)24-17/h6-7,10-14,18,20-21H,2-5,8-9H2,1H3/t12-,13+,14+,18+/m0/s1
InChIKeyFDLXGUBSZCJEGE-HNSFDTNUSA-N
Roles Classification
Biological Role:
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
solanapyrone C (CHEBI:38239) is a octahydronaphthalenes (CHEBI:138397)
solanapyrone C (CHEBI:38239) is a pyrancarbaldehyde (CHEBI:38332)
solanapyrone C (CHEBI:38239) is a solanapyrone (CHEBI:38230)
IUPAC Name 
4-[(2-hydroxyethyl)amino]-6-[(1R,2S,4aR,8aR)-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-2-oxo-2H-pyran-3-carbaldehyde
Registry NumbersSources
Beilstein:6983685Beilstein