CHEBI:80789 - Acutumine

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ChEBI Name Acutumine
ChEBI ID CHEBI:80789
Stars This entity has been manually annotated by a third party.
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Formula C19H24ClNO6
Net Charge 0
Average Mass 397.85000
Monoisotopic Mass 397.12922
InChI InChI=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
InChIKey FSXRARBVZZKCGJ-FMAJMWNWSA-N
SMILES COC1=CC(=O)[C@]2([C@@H](Cl)C[C@]34N(C)CC[C@]23CC(=O)C(OC)=C4OC)[C@@H]1O
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 Acutumine (CHEBI:80789) is a alkaloid (CHEBI:22315)
Manual Xref Database
C16910 KEGG COMPOUND
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Registry Number Type Source
17088-50-5 CAS Registry Number KEGG COMPOUND