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CHEBI:38235 - solanapyrone B

ChEBI IDCHEBI:38235
ChEBI Namesolanapyrone B
Stars
Last Modified7 September 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC18H24O4
Net Charge0
Average Mass304.386
Monoisotopic Mass304.16746
SMILES[H][C@@]12C=C[C@H](C)[C@@H](c3cc(OC)c(CO)c(=O)o3)[C@]1([H])CCCC2
InChIInChI=1S/C18H24O4/c1-11-7-8-12-5-3-4-6-13(12)17(11)16-9-15(21-2)14(10-19)18(20)22-16/h7-9,11-13,17,19H,3-6,10H2,1-2H3/t11-,12+,13+,17+/m0/s1
InChIKeyYJHFAFJKTXEFDR-SFDCBXKLSA-N
Roles Classification
Biological Role:
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
solanapyrone B (CHEBI:38235) is a octahydronaphthalenes (CHEBI:138397)
solanapyrone B (CHEBI:38235) is a solanapyrone (CHEBI:38230)
IUPAC Name 
3-(hydroxymethyl)-4-methoxy-6-[(1R,2S,4aR,8aR)-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-2H-pyran-2-one
Synonym  Source
Solanapyrone EChemIDplus
Registry NumbersSources
Beilstein:4710795Beilstein
CAS:88899-60-9ChemIDplus