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CHEBI:2452 - Acutumidine

ChEBI IDCHEBI:2452
ChEBI NameAcutumidine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC18H22ClNO6
Net Charge0
Average Mass383.828
Monoisotopic Mass383.11357
SMILESCOC1=CC(=O)[C@@]2([C@@H]1O)[C@@H](Cl)C[C@]13NCC[C@]21CC(=O)C(OC)=C3OC
InChIInChI=1S/C18H22ClNO6/c1-24-10-6-12(22)18(14(10)23)11(19)8-17-15(26-3)13(25-2)9(21)7-16(17,18)4-5-20-17/h6,11,14,20,23H,4-5,7-8H2,1-3H3/t11-,14+,16+,17+,18+/m0/s1
InChIKeySBALNGLYQFMKPR-NQTWQHAWSA-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)
Acutumidine (CHEBI:2452) is a alkaloid (CHEBI:22315)
Synonym  Source
AcutumidineKEGG COMPOUND
Manual XrefsDatabases
C00002310KNApSAcK
C10565KEGG COMPOUND
Registry NumbersSources
CAS:18145-26-1KEGG COMPOUND