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CHEBI:4484 - Dialdehyde 11678

ChEBI IDCHEBI:4484
ChEBI NameDialdehyde 11678
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC21H24N2O4
Net Charge0
Average Mass368.433
Monoisotopic Mass368.17361
SMILES[H][C@](C=C)(C=O)[C@]([H])(C[C@]1([H])NCCc2c1nc1ccccc21)/C(=C/O)C(=O)OC
InChIInChI=1S/C21H24N2O4/c1-3-13(11-24)16(17(12-25)21(26)27-2)10-19-20-15(8-9-22-19)14-6-4-5-7-18(14)23-20/h3-7,11-13,16,19,22-23,25H,1,8-10H2,2H3/b17-12-/t13-,16-,19-/m0/s1
InChIKeyZNZYKNKBJPZETN-WELNAUFTSA-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)
Dialdehyde 11678 (CHEBI:4484) is a harmala alkaloid (CHEBI:61379)
Synonym  Source
DialdehydeKEGG COMPOUND
Manual XrefsDatabases
C11678KEGG COMPOUND
Registry NumbersSources
CAS:85955-83-5KEGG COMPOUND