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CHEBI:181712 - Desmethylemetine

ChEBI IDCHEBI:181712
ChEBI NameDesmethylemetine
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SubmitterMetaboLights
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FormulaC28H38N2O4
Net Charge0
Average Mass466.622
Monoisotopic Mass466.28316
SMILESCCC1CN2CCc3cc(OC)c(OC)cc3C2CC1CC1NCCc2cc(O)c(OC)cc21
InChIInChI=1S/C28H38N2O4/c1-5-17-16-30-9-7-19-13-27(33-3)28(34-4)15-22(19)24(30)11-20(17)10-23-21-14-26(32-2)25(31)12-18(21)6-8-29-23/h12-15,17,20,23-24,29,31H,5-11,16H2,1-4H3
InChIKeyDTGZHCFJNDAHEN-UHFFFAOYSA-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)
Desmethylemetine (CHEBI:181712) is a alkaloid (CHEBI:22315)
IUPAC Name 
1-[(3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol
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