CHEBI:95015 - 4-[bis(1,3-benzodioxol-5-yl)-hydroxymethyl]-1-piperidinecarboxylic acid (4-nitrophenyl) ester

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ChEBI Name 4-[bis(1,3-benzodioxol-5-yl)-hydroxymethyl]-1-piperidinecarboxylic acid (4-nitrophenyl) ester
ChEBI ID CHEBI:95015
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C27H24N2O9
Net Charge 0
Average Mass 520.488
Monoisotopic Mass 520.14818
InChI InChI=1S/C27H24N2O9/c30-26(38-21-5-3-20(4-6-21)29(32)33)28-11-9-17(10-12-28)27(31,18-1-7-22-24(13-18)36-15-34-22)19-2-8-23-25(14-19)37-16-35-23/h1-8,13-14,17,31H,9-12,15-16H2
InChIKey SEGYOKHGGFKMCX-UHFFFAOYSA-N
SMILES C1CN(CCC1C(C2=CC3=C(C=C2)OCO3)(C4=CC5=C(C=C4)OCO5)O)C(=O)OC6=CC=C(C=C6)[N+](=O)[O-]
ChEBI Ontology
Outgoing 4-[bis(1,3-benzodioxol-5-yl)-hydroxymethyl]-1-piperidinecarboxylic acid (4-nitrophenyl) ester (CHEBI:95015) is a benzodioxoles (CHEBI:38298)
Manual Xref Database
LSM-6246 LINCS
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