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CHEBI:135740 - detajmium

ChEBI IDCHEBI:135740
ChEBI Namedetajmium
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC27H42N3O3
Net Charge+1
Average Mass456.651
Monoisotopic Mass456.32207
SMILES[H][C@@]12N(C)c3ccccc3[C@]13C[C@@]1([H])[C@H]([C@H]4C[C@]2([H])[N@+]1(CC(O)CN(CC)CC)[C@H](O)[C@H]4CC)[C@H]3O
InChIInChI=1S/C27H42N3O3/c1-5-17-18-12-21-24-27(19-10-8-9-11-20(19)28(24)4)13-22(23(18)25(27)32)30(21,26(17)33)15-16(31)14-29(6-2)7-3/h8-11,16-18,21-26,31-33H,5-7,12-15H2,1-4H3/q+1/t16?,17-,18-,21-,22-,23-,24-,25+,26+,27+,30-/m0/s1
InChIKeyIXLGLCQSNUMEGQ-PYJPINIGSA-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)
detajmium (CHEBI:135740) is a indole alkaloid (CHEBI:38958)
Synonyms  Source
detajmium bitartrateDrugCentral
tachmalcorDrugCentral
detajmium bitartrate hydrateDrugCentral
Manual XrefsDatabases
823DrugCentral
Registry NumbersSources
CAS:47719-70-0DrugCentral