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CHEBI:187920 - Diethyl 2-(2-furyl)-4-hydroxy-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate

Default Structure
ChEBI IDCHEBI:187920
ChEBI NameDiethyl 2-(2-furyl)-4-hydroxy-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H22O7
Net Charge0
Average Mass338.356
Monoisotopic Mass338.13655
SMILESCCOC(=O)C1C(=O)CC(C)(O)C(C(=O)OCC)C1c1ccco1
InChIInChI=1S/C17H22O7/c1-4-22-15(19)12-10(18)9-17(3,21)14(16(20)23-5-2)13(12)11-7-6-8-24-11/h6-8,12-14,21H,4-5,9H2,1-3H3
InChIKeyFDERVCFEOHKBSB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Diethyl 2-(2-furyl)-4-hydroxy-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate (CHEBI:187920) is a dicarboxylic acid (CHEBI:35692)
IUPAC Name 
diethyl 2-(uran-2-yl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Manual XrefsDatabases
2107567ChemSpider