CHEBI:101314 - LSM-12680

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ChEBI Name LSM-12680
ChEBI ID CHEBI:101314
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C31H36N2O5
Net Charge 0
Average Mass 516.629
Monoisotopic Mass 516.26242
InChI InChI=1S/C31H36N2O5/c1-21-15-33(22(2)18-34)31(35)27-11-7-6-10-26(27)25-9-5-4-8-24(25)19-36-30(21)17-32(3)16-23-12-13-28-29(14-23)38-20-37-28/h4-14,21-22,30,34H,15-20H2,1-3H3/t21-,22-,30-/m0/s1
InChIKey VTMUWCMJICVSQX-PWWNZBMUSA-N
SMILES C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)CC4=CC5=C(C=C4)OCO5)[C@@H](C)CO
ChEBI Ontology
Outgoing LSM-12680 (CHEBI:101314) is a benzodioxoles (CHEBI:38298)
Manual Xref Database
LSM-12680 LINCS
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