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CHEBI:226437 - Roquefortine A

ChEBI IDCHEBI:226437
ChEBI NameRoquefortine A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H22N2O2
Net Charge0
Average Mass298.386
Monoisotopic Mass298.16813
SMILESCC(=O)O[C@H]1[C@@H]2c3cccc4ncc(c34)C[C@H]2N(C)C[C@@H]1C
InChIInChI=1S/C18H22N2O2/c1-10-9-20(3)15-7-12-8-19-14-6-4-5-13(16(12)14)17(15)18(10)22-11(2)21/h4-6,8,10,15,17-19H,7,9H2,1-3H3/t10-,15+,17+,18+/m0/s1
InChIKeyGJSSYQDXZLZOLR-QMHBMSAFSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Roquefortine A (CHEBI:226437) is a alkaloid (CHEBI:22315)
IUPAC Name 
[(6aR,9S,10R,10aR)-7,9-dimethyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-g]quinolin-10-yl] acetate
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58828645ChemSpider