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CHEBI:80789 - Acutumine

ChEBI IDCHEBI:80789
ChEBI NameAcutumine
Stars
DownloadsMolfile
FormulaC19H24ClNO6
Net Charge0
Average Mass397.855
Monoisotopic Mass397.12922
SMILESCOC1=CC(=O)[C@@]2([C@@H]1O)[C@@H](Cl)C[C@@]13C(OC)=C(OC)C(=O)C[C@@]21CCN3C
InChIInChI=1S/C19H24ClNO6/c1-21-6-5-17-8-10(22)14(26-3)16(27-4)18(17,21)9-12(20)19(17)13(23)7-11(25-2)15(19)24/h7,12,15,24H,5-6,8-9H2,1-4H3/t12-,15+,17+,18+,19+/m0/s1
InChIKeyFSXRARBVZZKCGJ-FMAJMWNWSA-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)
Acutumine (CHEBI:80789) is a alkaloid (CHEBI:22315)
Manual XrefsDatabases
C16910KEGG COMPOUND
Registry NumbersSources
CAS:17088-50-5KEGG COMPOUND