EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:92048 - LSM-2031

ChEBI IDCHEBI:92048
ChEBI NameLSM-2031
Stars
DownloadsMolfile
FormulaC37H41N2O6
Net Charge+1
Average Mass609.743
Monoisotopic Mass609.29591
SMILESCOc1cc2c3cc1Oc1cc(ccc1O)C[C@@H]1c4c(cc(OC)c(O)c4Oc4cccc(c4)C[C@@H]3N(C)CC2)CC[N+]1(C)C
InChIInChI=1S/C37H40N2O6/c1-38-13-11-24-19-32(42-4)33-21-27(24)28(38)16-22-7-6-8-26(15-22)44-37-35-25(20-34(43-5)36(37)41)12-14-39(2,3)29(35)17-23-9-10-30(40)31(18-23)45-33/h6-10,15,18-21,28-29H,11-14,16-17H2,1-5H3,(H-,40,41)/p+1/t28-,29+/m0/s1
InChIKeyMZTXBESCVZFFQE-URLMMPGGSA-O
ChEBI Ontology
Outgoing Relation(s)
LSM-2031 (CHEBI:92048) is a aromatic ether (CHEBI:35618)
Manual XrefsDatabases
LSM-2031LINCS