CHEBI:119627 - LSM-31073

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name LSM-31073
ChEBI ID CHEBI:119627
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C31H33N3O6
Net Charge 0
Average Mass 543.611
Monoisotopic Mass 543.23694
InChI InChI=1S/C31H33N3O6/c1-20-16-34(21(2)18-35)31(37)25-13-23(10-9-22-7-5-4-6-8-22)15-32-29(25)40-28(20)17-33(3)30(36)24-11-12-26-27(14-24)39-19-38-26/h4-15,20-21,28,35H,16-19H2,1-3H3/t20-,21-,28-/m0/s1
InChIKey LVQXARYEWHFWNX-CZBREUMFSA-N
SMILES C[C@H]1CN(C(=O)C2=CC(=CN=C2O[C@H]1CN(C)C(=O)C3=CC4=C(C=C3)OCO4)C=CC5=CC=CC=C5)[C@@H](C)CO
ChEBI Ontology
Outgoing LSM-31073 (CHEBI:119627) is a benzodioxoles (CHEBI:38298)
Manual Xref Database
LSM-31073 LINCS
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