CHEBI:9693 - Trichotomine

ChEBI IDCHEBI:9693
ChEBI NameTrichotomine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC30H20N4O6
Net Charge0
Average Mass532.512
Monoisotopic Mass532.13828
SMILESO=C(O)[C@@H]1Cc2c(nc3ccccc23)C2=C/C(=C3/C=C4c5nc6ccccc6c5C[C@@H](C(=O)O)N4C3=O)C(=O)N21
InChIInChI=1S/C30H20N4O6/c35-27-17(11-21-25-15(9-23(29(37)38)33(21)27)13-5-1-3-7-19(13)31-25)18-12-22-26-16(14-6-2-4-8-20(14)32-26)10-24(30(39)40)34(22)28(18)36/h1-8,11-12,23-24,31-32H,9-10H2,(H,37,38)(H,39,40)/b18-17+/t23-,24-/m0/s1
InChIKeyLOHPAPKRMNSIDN-GKIAHDCUSA-N
ChEBI Ontology
Outgoing Relation(s)
Trichotomine (CHEBI:9693) is a β-carbolines (CHEBI:60834)
Synonym  Source
TrichotomineKEGG COMPOUND
Manual XrefsDatabases
C09247KEGG COMPOUND
C00001777KNApSAcK
Registry NumbersSources
CAS:53472-14-3KEGG COMPOUND