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CHEBI:114 - (-)-Santiaguine

ChEBI IDCHEBI:114
ChEBI Name(-)-Santiaguine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC38H48N4O2
Net Charge0
Average Mass592.828
Monoisotopic Mass592.37773
SMILES[H][C@]1(C2=CN(C(=O)[C@]3([H])[C@@]([H])(c4ccccc4)[C@@]([H])(C(=O)N4C=C([C@@]5([H])CCCCN5)CCC4)[C@]3([H])c3ccccc3)CCC2)CCCCN1
InChIInChI=1S/C38H48N4O2/c43-37(41-23-11-17-29(25-41)31-19-7-9-21-39-31)35-33(27-13-3-1-4-14-27)36(34(35)28-15-5-2-6-16-28)38(44)42-24-12-18-30(26-42)32-20-8-10-22-40-32/h1-6,13-16,25-26,31-36,39-40H,7-12,17-24H2/t31-,32-,33-,34-,35-,36-/m1/s1
InChIKeyOHNNTQXKHRISJP-HLPCWDLKSA-N
ChEBI Ontology
Outgoing Relation(s)
(-)-Santiaguine (CHEBI:114) is a tetrahydropyridine (CHEBI:26921)
Synonym  Source
(-)-SantiaguineKEGG COMPOUND
Manual XrefsDatabases
C10170KEGG COMPOUND
C00002071KNApSAcK
Registry NumbersSources
CAS:528-31-4KEGG COMPOUND