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CHEBI:188252 - PHOME

ChEBI IDCHEBI:188252
ChEBI NamePHOME
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H19NO4
Net Charge0
Average Mass373.408
Monoisotopic Mass373.13141
SMILESCOc1ccc2cc(C(C#N)OC(=O)CC3OC3c3ccccc3)ccc2c1
InChIInChI=1S/C23H19NO4/c1-26-19-10-9-16-11-18(8-7-17(16)12-19)21(14-24)27-22(25)13-20-23(28-20)15-5-3-2-4-6-15/h2-12,20-21,23H,13H2,1H3
InChIKeyNZOVBSWOWQLAJG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
ChEBI Ontology
Outgoing Relation(s)
PHOME (CHEBI:188252) is a naphthalenes (CHEBI:25477)
IUPAC Name 
[cyano-(6-methoxynaphthalen-2-yl)methyl] 2-(3-phenyloxiran-2-yl)acetate
Manual XrefsDatabases
26458557ChemSpider