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CHEBI:227962 - Cochphthester C

ChEBI IDCHEBI:227962
ChEBI NameCochphthester C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC37H40O16
Net Charge0
Average Mass740.711
Monoisotopic Mass740.23164
SMILESCOC(=O)c1ccccc1C(=O)OCCOCCOC(=O)c1ccccc1C(=O)OCCOCCOC(=O)c1ccccc1C(=O)OCCOCCO
InChIInChI=1S/C37H40O16/c1-45-32(39)26-8-2-3-9-27(26)33(40)50-22-17-47-18-23-52-36(43)30-12-6-7-13-31(30)37(44)53-25-20-48-19-24-51-35(42)29-11-5-4-10-28(29)34(41)49-21-16-46-15-14-38/h2-13,38H,14-25H2,1H3
InChIKeyDTWCFSYGQHKOJZ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bipolaris (ncbitaxon:33194) - PubMed (27245469)
ChEBI Ontology
Outgoing Relation(s)
Cochphthester C (CHEBI:227962) has functional parent pentacarboxylic acid (CHEBI:35743)
Cochphthester C (CHEBI:227962) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
2-O-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxycarbonyl]benzoyl]oxyethoxy]ethoxycarbonyl]benzoyl]oxyethoxy]ethyl] 1-O-methyl benzene-1,2-dicarboxylate
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