CHEBI:101653 - LSM-13016

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ChEBI Name LSM-13016
ChEBI ID CHEBI:101653
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C27H31N3O6
Net Charge 0
Average Mass 493.553
Monoisotopic Mass 493.22129
InChI InChI=1S/C27H31N3O6/c1-35-17-23(32)30-22-15-29-21(10-9-19(26(29)33)8-7-18-5-3-2-4-6-18)25(30)24(20(22)16-31)27(34)28-11-13-36-14-12-28/h2-10,20,22,24-25,31H,11-17H2,1H3/t20-,22-,24+,25+/m0/s1
InChIKey XMUOPSKEXGVNOG-MMTHZHQFSA-N
SMILES COCC(=O)N1[C@H]2CN3C(=CC=C(C3=O)C=CC4=CC=CC=C4)[C@@H]1[C@@H]([C@H]2CO)C(=O)N5CCOCC5
ChEBI Ontology
Outgoing LSM-13016 (CHEBI:101653) is a pyrrolidinecarboxamide (CHEBI:46770)
Manual Xref Database
LSM-13016 LINCS
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