CHEBI:218924 - Fumigaclavine D

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Fumigaclavine D
ChEBI ID CHEBI:218924
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H28N2O2
Net Charge 0
Average Mass 352.478
Monoisotopic Mass 352.21508
InChI InChI=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
InChIKey AKWYLWPBUAVOQG-OBGLBDJTSA-N
SMILES O=C(O[C@@H]1[C@@H]2C3=C4C(NC(=C4C[C@H]2NC[C@H]1C)C(C=C)(C)C)=CC=C3)C
Metabolite of Species Details
Aspergillus fumigatus (NCBI:txid746128) See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
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ChEBI Ontology
Outgoing 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 Xref Database
58828646 ChemSpider
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