EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:124995 - LSM-36456

ChEBI IDCHEBI:124995
ChEBI NameLSM-36456
Stars
Last Modified26 February 2024
DownloadsMolfile
FormulaC23H16O6.2C26H30N3
Net Charge+2
Average Mass1157.469
Monoisotopic Mass1156.58154
SMILESCc1cc(CCc2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1.Cc1cc(CCc2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1.O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O
InChIInChI=1S/2C26H30N3.C23H16O6/c2*1-19-17-21(20(2)29(19)24-9-7-6-8-10-24)11-13-23-14-12-22-18-25(27(3)4)15-16-26(22)28(23)5;24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29/h2*6-10,12,14-18H,11,13H2,1-5H3;1-10,24-25H,11H2,(H,26,27)(H,28,29)/q2*+1;
InChIKeyKOQZANVPTWLKGU-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
LSM-36456 (CHEBI:124995) is a quinolinium ion (CHEBI:52837)
Manual XrefsDatabases
LSM-36456LINCS