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CHEBI:67159 - fumigaclavine A

ChEBI IDCHEBI:67159
ChEBI Namefumigaclavine A
Stars
DefinitionAn ergot alkaloid produced by the fungus Aspergillus fumigatus that is ergoline which is substituted by methyl groups at the 6 and 8β positions, and by an acetoxy group at the 9β position.
Last Modified20 August 2012
Submitternamrata
DownloadsMolfile
FormulaC18H22N2O2
Net Charge0
Average Mass298.386
Monoisotopic Mass298.16813
SMILES[H][C@@]12c3cccc4ncc(c34)C[C@@]1([H])N(C)C[C@H](C)[C@@H]2OC(C)=O
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-IMKJFWDFSA-N
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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)
fumigaclavine A (CHEBI:67159) has parent hydride ergoline (CHEBI:38484)
fumigaclavine A (CHEBI:67159) has role metabolite (CHEBI:25212)
fumigaclavine A (CHEBI:67159) is a acetate ester (CHEBI:47622)
fumigaclavine A (CHEBI:67159) is a ergot alkaloid (CHEBI:23943)
fumigaclavine A (CHEBI:67159) is conjugate base of fumigaclavine A(1+) (CHEBI:67145)
Incoming Relation(s)
fumigaclavine A(1+) (CHEBI:67145) is conjugate acid of fumigaclavine A (CHEBI:67159)
IUPAC Name 
(8β,9β)-6,8-dimethylergolin-9-yl acetate
Registry NumbersSources
CAS:6879-59-0ChemIDplus
Citations