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CHEBI:9723 - Trilobine

ChEBI IDCHEBI:9723
ChEBI NameTrilobine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC35H34N2O5
Net Charge0
Average Mass562.666
Monoisotopic Mass562.24677
SMILESCOc1ccc2cc1Oc1ccc(cc1)C[C@@H]1NCCc3cc(OC)c4c(c31)Oc1cc3c(cc1O4)CCN(C)[C@H]3C2
InChIInChI=1S/C35H34N2O5/c1-37-13-11-22-17-30-31-19-25(22)27(37)15-21-6-9-28(38-2)29(16-21)40-24-7-4-20(5-8-24)14-26-33-23(10-12-36-26)18-32(39-3)34(41-30)35(33)42-31/h4-9,16-19,26-27,36H,10-15H2,1-3H3/t26-,27-/m0/s1
InChIKeyXZAXGQMTBGFTFE-SVBPBHIXSA-N
ChEBI Ontology
Outgoing Relation(s)
Trilobine (CHEBI:9723) is a isoquinolines (CHEBI:24922)
Synonym  Source
TrilobineKEGG COMPOUND
Manual XrefsDatabases
C09669KEGG COMPOUND
C00001926KNApSAcK
Registry NumbersSources
CAS:6138-73-4KEGG COMPOUND