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CHEBI:4039 - Cynometrine

Default Structure
ChEBI IDCHEBI:4039
ChEBI NameCynometrine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC16H19N3O2
Net Charge0
Average Mass285.347
Monoisotopic Mass285.14773
SMILES[H][C@@]1(c2cn(C)cn2)CN(C)C(=O)[C@@]1([H])[C@H](O)c1ccccc1
InChIInChI=1S/C16H19N3O2/c1-18-9-13(17-10-18)12-8-19(2)16(21)14(12)15(20)11-6-4-3-5-7-11/h3-7,9-10,12,14-15,20H,8H2,1-2H3/t12-,14+,15+/m0/s1
InChIKeyUJMVRXMFOYOOMI-NWANDNLSSA-N
ChEBI Ontology
Outgoing Relation(s)
Cynometrine (CHEBI:4039) is a imidazoles (CHEBI:24780)
Synonym  Source
CynometrineKEGG COMPOUND
Manual XrefsDatabases
C00002332KNApSAcK
C10587KEGG COMPOUND
Registry NumbersSources
CAS:50656-83-2KEGG COMPOUND