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CHEBI:227959 - Cochphthester B

ChEBI IDCHEBI:227959
ChEBI NameCochphthester B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H28O11
Net Charge0
Average Mass504.488
Monoisotopic Mass504.16316
SMILESCOC(=O)c1ccccc1C(=O)OCCOCCOC(=O)c1ccccc1C(=O)OCCOCCO
InChIInChI=1S/C25H28O11/c1-31-22(27)18-6-2-3-7-19(18)23(28)35-16-13-33-14-17-36-25(30)21-9-5-4-8-20(21)24(29)34-15-12-32-11-10-26/h2-9,26H,10-17H2,1H3
InChIKeyGXPFOJVGRIOSLV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bipolaris (ncbitaxon:33194) - PubMed (27245469)
ChEBI Ontology
Outgoing Relation(s)
Cochphthester B (CHEBI:227959) has functional parent tetracarboxylic acid (CHEBI:35742)
Cochphthester B (CHEBI:227959) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
2-O-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxycarbonyl]benzoyl]oxyethoxy]ethyl] 1-O-methyl benzene-1,2-dicarboxylate
Manual XrefsDatabases
60596979ChemSpider