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

ChEBI IDCHEBI:228986
ChEBI Name2-Carboxymethyl-3-phenyl-2,3-epoxy-1,4-naphthoquinone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H12O5
Net Charge0
Average Mass308.289
Monoisotopic Mass308.06847
SMILESO=C(O)CC12OC1(c1ccccc1)C(=O)c1ccccc1C2=O
InChIInChI=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)
InChIKeyWBLHVUJMUODRME-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
ChEBI Ontology
Outgoing Relation(s)
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
Manual XrefsDatabases
20119979ChemSpider