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CHEBI:233712 - 2-ethylhexanoic acid glucuronide

Default Structure
ChEBI IDCHEBI:233712
ChEBI Name2-ethylhexanoic acid glucuronide
Stars
SubmitterJoanne
DownloadsMolfile
FormulaC14H23O8
Net Charge-1
Average Mass319.330
Monoisotopic Mass319.13984
SMILESCCCCC(CC)C(=O)O[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C14H24O8/c1-3-5-6-7(4-2)13(20)22-14-10(17)8(15)9(16)11(21-14)12(18)19/h7-11,14-17H,3-6H2,1-2H3,(H,18,19)/p-1/t7?,8-,9-,10+,11-,14-/m0/s1
InChIKeyFZGJYNLYAFIHKR-ADZIFFMNSA-M
ChEBI Ontology
Outgoing Relation(s)
2-ethylhexanoic acid glucuronide (CHEBI:233712) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
(2S,3S,4S,5R,6S)-6-[(2-ethylhexanoyl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Citations