CHEBI:105012 - 4-[[[1-oxo-2-[(2-oxo-3-phenyl-1-benzopyran-7-yl)oxy]ethyl]amino]methyl]-1-cyclohexanecarboxylic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-[[[1-oxo-2-[(2-oxo-3-phenyl-1-benzopyran-7-yl)oxy]ethyl]amino]methyl]-1-cyclohexanecarboxylic acid
ChEBI ID CHEBI:105012
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C25H25NO6
Net Charge 0
Average Mass 435.470
Monoisotopic Mass 435.16819
InChI InChI=1S/C25H25NO6/c27-23(26-14-16-6-8-18(9-7-16)24(28)29)15-31-20-11-10-19-12-21(17-4-2-1-3-5-17)25(30)32-22(19)13-20/h1-5,10-13,16,18H,6-9,14-15H2,(H,26,27)(H,28,29)
InChIKey XYKMEDUGXHOUKH-UHFFFAOYSA-N
SMILES C1CC(CCC1CNC(=O)COC2=CC3=C(C=C2)C=C(C(=O)O3)C4=CC=CC=C4)C(=O)O
ChEBI Ontology
Outgoing 4-[[[1-oxo-2-[(2-oxo-3-phenyl-1-benzopyran-7-yl)oxy]ethyl]amino]methyl]-1-cyclohexanecarboxylic acid (CHEBI:105012) is a isoflavonoid (CHEBI:50753)
Manual Xref Database
LSM-16375 LINCS
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