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CHEBI:9644 - Toxiferine I

ChEBI IDCHEBI:9644
ChEBI NameToxiferine I
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC40H46N4O2
Net Charge+2
Average Mass614.834
Monoisotopic Mass614.36098
SMILES[H][C@]12C[C@]3([H])/C4=C/N5c6ccccc6[C@]67CC[N@@+]8(C)C/C(=C/CO)[C@]([H])(C[C@@]68[H])/C(=C/N6c8ccccc8[C@@]1(CC[N@@+]2(C)C/C3=C/CO)[C@]46[H])[C@]57[H]
InChIInChI=1S/C40H46N4O2/c1-43-15-13-39-31-7-3-5-9-33(31)41-22-30-28-20-36-40(14-16-44(36,2)24-26(28)12-18-46)32-8-4-6-10-34(32)42(38(30)40)21-29(37(39)41)27(19-35(39)43)25(23-43)11-17-45/h3-12,21-22,27-28,35-38,45-46H,13-20,23-24H2,1-2H3/q+2/b25-11-,26-12-,29-21-,30-22-/t27-,28-,35-,36-,37-,38-,39+,40+,43-,44-/m0/s1
InChIKeyIIYHWTVUYIYKKG-QQRSFBQTSA-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)
Toxiferine I (CHEBI:9644) is a alkaloid (CHEBI:22315)
Synonym  Source
Toxiferine IKEGG COMPOUND
Manual XrefsDatabases
C00001776KNApSAcK
C09246KEGG COMPOUND
Registry NumbersSources
CAS:6888-23-9KEGG COMPOUND