CHEBI:92048 - LSM-2031

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ChEBI Name LSM-2031
ChEBI ID CHEBI:92048
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C37H41N2O6
Net Charge +1
Average Mass 609.733
Monoisotopic Mass 609.29591
InChI InChI=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
InChIKey MZTXBESCVZFFQE-URLMMPGGSA-O
SMILES CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC(=CC=C4)OC5=C6[C@@H](CC7=CC(=C(C=C7)O)O3)[N+](CCC6=CC(=C5O)OC)(C)C)OC
ChEBI Ontology
Outgoing LSM-2031 (CHEBI:92048) is a aromatic ether (CHEBI:35618)
Manual Xref Database
LSM-2031 LINCS
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