2-Carboxymethyl-3-phenyl-2,3-epoxy-1,4-naphthoquinone (CHEBI:228986)

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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	2-Carboxymethyl-3-phenyl-2,3-epoxy-1,4-naphthoquinone

ChEBI ID	CHEBI:228986

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C18H12O5

Net Charge

Average Mass

308.289

Monoisotopic Mass

308.06847

InChI

InChI=1S/C18H12O5/c19-14(20)10-17-15(21)12-8-4-5-9-13(12)16(22)18(17,23-17)11-6-2-1-3-7-11/h1-9H,10H2,(H,19,20)

InChIKey

WBLHVUJMUODRME-UHFFFAOYSA-N

SMILES

O1C2(C1(C(=O)C=3C(C2=O)=CC=CC3)C4=CC=CC=C4)CC(O)=O

Metabolite of Species	Details
Zea mays (NCBI:txid4577)	Found in exometabolome See: MetaboLights Study

ChEBI Ontology
Outgoing	2-Carboxymethyl-3-phenyl-2,3-epoxy-1,4-naphthoquinone (CHEBI:228986) is a benzenes (CHEBI:22712) 2-Carboxymethyl-3-phenyl-2,3-epoxy-1,4-naphthoquinone (CHEBI:228986) is a naphthalenes (CHEBI:25477) 2-Carboxymethyl-3-phenyl-2,3-epoxy-1,4-naphthoquinone (CHEBI:228986) is a ring assembly (CHEBI:36820)

IUPAC Name

2-(2,7-dioxo-1a-phenylnaphtho[2,3-b]oxiren-7a-yl)acetic acid