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CHEBI:3804 - Codonocarpine

ChEBI IDCHEBI:3804
ChEBI NameCodonocarpine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC26H31N3O5
Net Charge0
Average Mass465.550
Monoisotopic Mass465.22637
SMILESCOc1cc2ccc1Oc1cc(ccc1O)/C=C/C(=O)NCCCNCCCCNC(=O)/C=C/2
InChIInChI=1S/C26H31N3O5/c1-33-24-18-20-6-10-22(24)34-23-17-19(5-9-21(23)30)7-11-26(32)29-16-4-14-27-13-2-3-15-28-25(31)12-8-20/h5-12,17-18,27,30H,2-4,13-16H2,1H3,(H,28,31)(H,29,32)/b11-7+,12-8+
InChIKeyFLRXCRYRYZPGPB-MKICQXMISA-N
ChEBI Ontology
Outgoing Relation(s)
Codonocarpine (CHEBI:3804) is a azamacrocycle (CHEBI:52898)
Codonocarpine (CHEBI:3804) is a lactam (CHEBI:24995)
Synonym  Source
CodonocarpineKEGG COMPOUND
Manual XrefsDatabases
C10582KEGG COMPOUND
C00002326KNApSAcK
Registry NumbersSources
CAS:33442-48-7KEGG COMPOUND