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CHEBI:2887 - Aspidofractine

ChEBI IDCHEBI:2887
ChEBI NameAspidofractine
Stars
Last Modified9 March 2018
DownloadsMolfile
FormulaC22H26N2O3
Net Charge0
Average Mass366.461
Monoisotopic Mass366.19434
SMILES[H][C@]12N3CCC[C@]14CC[C@]1([C@H](C(=O)OC)C4)N(C=O)c4ccccc4[C@]21CC3
InChIInChI=1S/C22H26N2O3/c1-27-18(26)16-13-20-7-4-11-23-12-10-21(19(20)23)15-5-2-3-6-17(15)24(14-25)22(16,21)9-8-20/h2-3,5-6,14,16,19H,4,7-13H2,1H3/t16-,19-,20+,21+,22+/m0/s1
InChIKeyXGYZDZNXCXHGBV-WVCANSMHSA-N
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)
Aspidofractine (CHEBI:2887) is a indole alkaloid (CHEBI:38958)
Aspidofractine (CHEBI:2887) is a methyl ester (CHEBI:25248)
Synonym  Source
AspidofractineKEGG COMPOUND
Manual XrefsDatabases
C09040KEGG COMPOUND
Registry NumbersSources
CAS:2348-67-6KEGG COMPOUND