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CHEBI:80675 - N-Formyldemecolcine

ChEBI IDCHEBI:80675
ChEBI NameN-Formyldemecolcine
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DownloadsMolfile
FormulaC22H25NO6
Net Charge0
Average Mass399.443
Monoisotopic Mass399.16819
SMILESCOc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](N(C)C=O)CC2
InChIInChI=1S/C22H25NO6/c1-23(12-24)16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-12,16H,6,8H2,1-5H3/t16-/m0/s1
InChIKeyHTWMEJLBEVTMMZ-INIZCTEOSA-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)
N-Formyldemecolcine (CHEBI:80675) is a acetamides (CHEBI:22160)
N-Formyldemecolcine (CHEBI:80675) is a alkaloid (CHEBI:22315)
N-Formyldemecolcine (CHEBI:80675) is a carbotricyclic compound (CHEBI:38032)
Manual XrefsDatabases
C16710KEGG COMPOUND
Registry NumbersSources
CAS:14686-61-4KEGG COMPOUND