EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:227975 - Cochphthester G

ChEBI IDCHEBI:227975
ChEBI NameCochphthester G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC52H58O23
Net Charge0
Average Mass1051.013
Monoisotopic Mass1050.33689
SMILESO=C(OCCOCCO)c1ccccc1C(=O)OCCOCCOC(=O)c1ccccc1C(=O)OCCOCCOC(=O)c1ccccc1C(=O)OCCOCCOC(=O)c1ccccc1C(=O)OCCOCCO
InChIInChI=1S/C52H58O23/c53-17-19-63-21-29-68-45(55)37-9-1-3-11-39(37)47(57)70-31-23-65-25-33-72-49(59)41-13-5-7-15-43(41)51(61)74-35-27-67-28-36-75-52(62)44-16-8-6-14-42(44)50(60)73-34-26-66-24-32-71-48(58)40-12-4-2-10-38(40)46(56)69-30-22-64-20-18-54/h1-16,53-54H,17-36H2
InChIKeyUBUSCXQSNMRMMP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bipolaris (ncbitaxon:33194) - PubMed (27245469)
ChEBI Ontology
Outgoing Relation(s)
Cochphthester G (CHEBI:227975) is a benzoate ester (CHEBI:36054)
IUPAC Name 
2-O-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxycarbonyl]benzoyl]oxyethoxy]ethoxycarbonyl]benzoyl]oxyethoxy]ethoxycarbonyl]benzoyl]oxyethoxy]ethyl] 1-O-[2-(2-hydroxyethoxy)ethyl] benzene-1,2-dicarboxylate
Manual XrefsDatabases
60596984ChemSpider