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CHEBI:98593 - LSM-9972

ChEBI IDCHEBI:98593
ChEBI NameLSM-9972
Stars
DownloadsMolfile
FormulaC31H36N2O5
Net Charge0
Average Mass516.638
Monoisotopic Mass516.26242
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)c2ccccc2-c2ccccc2CO[C@@H]1CN(C)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C31H36N2O5/c1-21-15-33(22(2)18-34)31(35)27-11-7-6-10-26(27)25-9-5-4-8-24(25)19-36-30(21)17-32(3)16-23-12-13-28-29(14-23)38-20-37-28/h4-14,21-22,30,34H,15-20H2,1-3H3/t21-,22+,30-/m1/s1
InChIKeyVTMUWCMJICVSQX-VDZJOXJSSA-N
ChEBI Ontology
Outgoing Relation(s)
LSM-9972 (CHEBI:98593) is a benzodioxoles (CHEBI:38298)
Manual XrefsDatabases
LSM-9972LINCS