CHEBI:101469 - LSM-12832

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ChEBI Name LSM-12832
ChEBI ID CHEBI:101469
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C32H39N3O5
Net Charge 0
Average Mass 545.670
Monoisotopic Mass 545.28897
InChI InChI=1S/C32H39N3O5/c1-22-18-35(23(2)20-36)31(37)29-12-8-7-11-28(29)27-10-6-5-9-25(27)21-40-30(22)19-34(3)32(38)33-17-24-13-15-26(39-4)16-14-24/h5-16,22-23,30,36H,17-21H2,1-4H3,(H,33,38)/t22-,23-,30+/m1/s1
InChIKey BRMWAKMKOMKLLH-JWUQWVJQSA-N
SMILES C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)NCC4=CC=C(C=C4)OC)[C@H](C)CO
ChEBI Ontology
Outgoing LSM-12832 (CHEBI:101469) is a methoxybenzenes (CHEBI:51683)
Manual Xref Database
LSM-12832 LINCS
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