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CHEBI:67156 - fumigaclavine B

ChEBI IDCHEBI:67156
ChEBI Namefumigaclavine B
Stars
DefinitionAn ergot alkaloid produced by the fungus Aspergillus fumigatus that consists of ergoline substituted by two methyl groups at the 6 and 8β positions, and by a hydroxy group at the 9β position.
Last Modified20 August 2012
Submitternamrata
DownloadsMolfile
FormulaC16H20N2O
Net Charge0
Average Mass256.349
Monoisotopic Mass256.15756
SMILES[H][C@@]12c3cccc4ncc(c34)C[C@@]1([H])N(C)C[C@H](C)[C@@H]2O
InChIInChI=1S/C16H20N2O/c1-9-8-18(2)13-6-10-7-17-12-5-3-4-11(14(10)12)15(13)16(9)19/h3-5,7,9,13,15-17,19H,6,8H2,1-2H3/t9-,13+,15+,16-/m0/s1
InChIKeyJUXRVSRUBIFVKE-CIGJXOAISA-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 B (CHEBI:67156) has parent hydride ergoline (CHEBI:38484)
fumigaclavine B (CHEBI:67156) has role metabolite (CHEBI:25212)
fumigaclavine B (CHEBI:67156) is a ergot alkaloid (CHEBI:23943)
fumigaclavine B (CHEBI:67156) is conjugate base of fumigaclavine B(1+) (CHEBI:67146)
Incoming Relation(s)
fumigaclavine B(1+) (CHEBI:67146) is conjugate acid of fumigaclavine B (CHEBI:67156)
IUPAC Name 
(8β,9β)-6,8-dimethylergolin-9-ol
Manual XrefsDatabases
CPD-12330MetaCyc
Registry NumbersSources
CAS:6879-93-2ChemIDplus
Citations