CHEBI:130496 - LSM-42045

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ChEBI Name LSM-42045
ChEBI ID CHEBI:130496
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C28H39N3O5
Net Charge 0
Average Mass 497.627
Monoisotopic Mass 497.28897
InChI InChI=1S/C28H39N3O5/c1-30-18-25-24(34-3)10-8-21(36-25)11-14-35-23-9-7-20(17-29)15-22(23)27(33)31(2)19-28(16-26(30)32)12-5-4-6-13-28/h7,9,15,21,24-25H,4-6,8,10-14,16,18-19H2,1-3H3/t21-,24-,25+/m0/s1
InChIKey MWEJRFAOBOBMCG-GVXSCFBNSA-N
SMILES CN1C[C@@H]2[C@H](CC[C@H](O2)CCOC3=C(C=C(C=C3)C#N)C(=O)N(CC4(CCCCC4)CC1=O)C)OC
ChEBI Ontology
Outgoing LSM-42045 (CHEBI:130496) is a aromatic ether (CHEBI:35618)
Manual Xref Database
LSM-42045 LINCS
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