CHEBI:93385 - LSM-3768

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ChEBI Name LSM-3768
ChEBI ID CHEBI:93385
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C31H38N2O7
Net Charge 0
Average Mass 550.644
Monoisotopic Mass 550.26790
InChI InChI=1S/C31H38N2O7/c1-5-6-11-19(2)16-20(3)17-21(4)30(38)32-22-18-31(39,29-28(40-29)27(22)37)15-10-8-7-9-12-25(36)33-26-23(34)13-14-24(26)35/h7-10,12,15-19,26,28-29,39H,5-6,11,13-14H2,1-4H3,(H,32,38)(H,33,36)/t19-,28-,29-,31+/m1/s1
InChIKey XIZGHTZLVCHYJN-RLIBEECYSA-N
SMILES CCCC[C@@H](C)C=C(C)C=C(C)C(=O)NC1=C[C@]([C@H]2[C@@H](C1=O)O2)(C=CC=CC=CC(=O)NC3C(=O)CCC3=O)O
ChEBI Ontology
Outgoing LSM-3768 (CHEBI:93385) is a cyclohexenones (CHEBI:48953)
Manual Xref Database
LSM-3768 LINCS
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