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CHEBI:218924 - Fumigaclavine D

ChEBI IDCHEBI:218924
ChEBI NameFumigaclavine D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H28N2O2
Net Charge0
Average Mass352.478
Monoisotopic Mass352.21508
SMILESC=CC(C)(C)c1nc2cccc3c2c1C[C@H]1NC[C@@H](C)[C@H](OC(C)=O)[C@H]31
InChIInChI=1S/C22H28N2O2/c1-6-22(4,5)21-15-10-17-19(14-8-7-9-16(24-21)18(14)15)20(26-13(3)25)12(2)11-23-17/h6-9,12,17,19-20,23-24H,1,10-11H2,2-5H3/t12-,17-,19-,20+/m1/s1
InChIKeyAKWYLWPBUAVOQG-OBGLBDJTSA-N
Species of MetaboliteComponentSourceComments
Aspergillus fumigatus (ncbitaxon:746128) - PubMed (25127024)
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)
Fumigaclavine D (CHEBI:218924) is a alkaloid (CHEBI:22315)
IUPAC Name 
[(6aR,9R,10S,10aR)-9-methyl-5-(2-methylbut-3-en-2-yl)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-g]quinolin-10-yl] acetate
Manual XrefsDatabases
58828646ChemSpider