EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:227955 - Cochphthester A

ChEBI IDCHEBI:227955
ChEBI NameCochphthester A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H16O6
Net Charge0
Average Mass268.265
Monoisotopic Mass268.09469
SMILESCOC(=O)c1ccccc1C(=O)OCCOCCO
InChIInChI=1S/C13H16O6/c1-17-12(15)10-4-2-3-5-11(10)13(16)19-9-8-18-7-6-14/h2-5,14H,6-9H2,1H3
InChIKeyPDVMOFXGTPILMJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bipolaris (ncbitaxon:33194) - PubMed (27245469)
ChEBI Ontology
Outgoing Relation(s)
Cochphthester A (CHEBI:227955) is a benzoate ester (CHEBI:36054)
IUPAC Name 
2-O-[2-(2-hydroxyethoxy)ethyl] 1-O-methyl benzene-1,2-dicarboxylate
Manual XrefsDatabases
60596978ChemSpider