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

ChEBI IDCHEBI:95015
ChEBI Name4-[bis(1,3-benzodioxol-5-yl)-hydroxymethyl]-1-piperidinecarboxylic acid (4-nitrophenyl) ester
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DownloadsMolfile
FormulaC27H24N2O9
Net Charge0
Average Mass520.494
Monoisotopic Mass520.14818
SMILESO=C(Oc1ccc([N+](=O)[O-])cc1)N1CCC(C(O)(c2ccc3c(c2)OCO3)c2ccc3c(c2)OCO3)CC1
InChIInChI=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
InChIKeySEGYOKHGGFKMCX-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[bis(1,3-benzodioxol-5-yl)-hydroxymethyl]-1-piperidinecarboxylic acid (4-nitrophenyl) ester (CHEBI:95015) is a benzodioxoles (CHEBI:38298)
Manual XrefsDatabases
LSM-6246LINCS