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CHEBI:8622 - Psychotrine

ChEBI IDCHEBI:8622
ChEBI NamePsychotrine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC28H36N2O4
Net Charge0
Average Mass464.606
Monoisotopic Mass464.26751
SMILES[H][C@@]12C[C@H](CC3=NCCc4cc(O)c(OC)cc43)[C@@H](CC)CN1CCc1cc(OC)c(OC)cc12
InChIInChI=1S/C28H36N2O4/c1-5-17-16-30-9-7-19-13-27(33-3)28(34-4)15-22(19)24(30)11-20(17)10-23-21-14-26(32-2)25(31)12-18(21)6-8-29-23/h12-15,17,20,24,31H,5-11,16H2,1-4H3/t17-,20-,24-/m0/s1
InChIKeyNCALAYAMQHIWMN-REIDKSKDSA-N
ChEBI Ontology
Outgoing Relation(s)
Psychotrine (CHEBI:8622) is a isoquinolines (CHEBI:24922)
Synonym  Source
PsychotrineKEGG COMPOUND
Manual XrefsDatabases
C09612KEGG COMPOUND
C00001907KNApSAcK
Registry NumbersSources
CAS:7633-29-6KEGG COMPOUND