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CHEBI:218940 - Fumigaclavine H

ChEBI IDCHEBI:218940
ChEBI NameFumigaclavine H
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H28N2.CO2
Net Charge0
Average Mass352.478
Monoisotopic Mass352.21508
SMILESC=CC(C)(C)c1nc2cccc3c2c1C[C@H]1NC[C@H](C)[C@@H](C)[C@@H]31.O=C=O
InChIInChI=1S/C21H28N2.CO2/c1-6-21(4,5)20-15-10-17-18(13(3)12(2)11-22-17)14-8-7-9-16(23-20)19(14)15;2-1-3/h6-9,12-13,17-18,22-23H,1,10-11H2,2-5H3;/t12-,13+,17+,18-;/m0./s1
InChIKeyLRPXCXGKBFJKOI-ZMLIQXICSA-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 H (CHEBI:218940) is a alkaloid (CHEBI:22315)