CHEBI:4039 - Cynometrine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Cynometrine
ChEBI ID CHEBI:4039
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C16H19N3O2
Net Charge 0
Average Mass 285.342
Monoisotopic Mass 285.14773
InChI InChI=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
InChIKey UJMVRXMFOYOOMI-NWANDNLSSA-N
SMILES CN1C[C@H]([C@H]([C@H](O)c2ccccc2)C1=O)c1cn(C)cn1
ChEBI Ontology
Outgoing Cynometrine (CHEBI:4039) is a imidazoles (CHEBI:24780)
Synonym Source
Cynometrine KEGG COMPOUND
Manual Xrefs Databases
C00002332 KNApSAcK
C10587 KEGG COMPOUND
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Registry Number Type Source
50656-83-2 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014