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CHEBI:9515 - Thalsimine

ChEBI IDCHEBI:9515
ChEBI NameThalsimine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC38H40N2O7
Net Charge0
Average Mass636.745
Monoisotopic Mass636.28355
SMILESCOc1ccc2cc1Oc1ccc(cc1)CC1=NCCc3cc(OC)c(cc31)Oc1c(OC)c(OC)c(OC)c3c1[C@H](C2)N(C)CC3
InChIInChI=1S/C38H40N2O7/c1-40-16-14-26-34-29(40)18-23-9-12-30(41-2)32(19-23)46-25-10-7-22(8-11-25)17-28-27-21-33(31(42-3)20-24(27)13-15-39-28)47-36(34)38(45-6)37(44-5)35(26)43-4/h7-12,19-21,29H,13-18H2,1-6H3/t29-/m0/s1
InChIKeyYWNUNVSMOKMJMG-LJAQVGFWSA-N
ChEBI Ontology
Outgoing Relation(s)
Thalsimine (CHEBI:9515) is a isoquinolines (CHEBI:24922)
Synonym  Source
ThalsimineKEGG COMPOUND
Manual XrefsDatabases
C09661KEGG COMPOUND
C00001923KNApSAcK
Registry NumbersSources
CAS:5525-36-0KEGG COMPOUND