CHEBI:116310 - 4-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentanoic acid [3-(4-nitrophenyl)-4-oxo-1-benzopyran-7-yl] ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentanoic acid [3-(4-nitrophenyl)-4-oxo-1-benzopyran-7-yl] ester
ChEBI ID CHEBI:116310
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C26H28N2O8
Net Charge 0
Average Mass 496.510
Monoisotopic Mass 496.18457
InChI InChI=1S/C26H28N2O8/c1-15(2)12-21(27-25(31)36-26(3,4)5)24(30)35-18-10-11-19-22(13-18)34-14-20(23(19)29)16-6-8-17(9-7-16)28(32)33/h6-11,13-15,21H,12H2,1-5H3,(H,27,31)
InChIKey ARJBZCFGAHBHDX-UHFFFAOYSA-N
SMILES CC(C)CC(C(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=C(C=C3)[N+](=O)[O-])NC(=O)OC(C)(C)C
ChEBI Ontology
Outgoing 4-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentanoic acid [3-(4-nitrophenyl)-4-oxo-1-benzopyran-7-yl] ester (CHEBI:116310) is a isoflavones (CHEBI:38757)
Manual Xref Database
LSM-27765 LINCS
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