CHEBI:80675 - N-Formyldemecolcine

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ChEBI Name N-Formyldemecolcine
ChEBI ID CHEBI:80675
Stars This entity has been manually annotated by a third party.
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Formula C22H25NO6
Net Charge 0
Average Mass 399.43700
Monoisotopic Mass 399.16819
InChI InChI=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
InChIKey HTWMEJLBEVTMMZ-INIZCTEOSA-N
SMILES COc1cc2CC[C@H](N(C)C=O)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
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ChEBI Ontology
Outgoing 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 Xref Database
C16710 KEGG COMPOUND
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Registry Number Type Source
14686-61-4 CAS Registry Number KEGG COMPOUND