3-(3-nitrophenyl)-2-phenylacrylic acid (CHEBI:228741)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	3-(3-nitrophenyl)-2-phenylacrylic acid

ChEBI ID	CHEBI:228741

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

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Formula

C15H11NO4

Net Charge

Average Mass

269.256

Monoisotopic Mass

269.06881

InChI

InChI=1S/C15H11NO4/c17-15(18)14(12-6-2-1-3-7-12)10-11-5-4-8-13(9-11)16(19)20/h1-10H,(H,17,18)/b14-10+

InChIKey

AWELCBAXCALMIX-GXDHUFHOSA-N

SMILES

OC(=O)\C(\C1=CC=CC=C1)=C\C2=CC([N+]([O-])=O)=CC=C2

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in urine (BTO:0001419). See: MetaboLights Study

ChEBI Ontology
Outgoing	3-(3-nitrophenyl)-2-phenylacrylic acid (CHEBI:228741) is a stilbenoid (CHEBI:26776)

IUPAC Name

(E)-3-(3-nitrophenyl)-2-phenylprop-2-enoic acid