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CHEBI:189727 - dihydroisoferulic acid 3-glucuronide

ChEBI IDCHEBI:189727
ChEBI Namedihydroisoferulic acid 3-glucuronide
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H20O10
Net Charge0
Average Mass372.326
Monoisotopic Mass372.10565
SMILESCOc1ccc(CCC(=O)O)cc1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C16H20O10/c1-24-8-4-2-7(3-5-10(17)18)6-9(8)25-16-13(21)11(19)12(20)14(26-16)15(22)23/h2,4,6,11-14,16,19-21H,3,5H2,1H3,(H,17,18)(H,22,23)/t11-,12-,13+,14-,16+/m0/s1
InChIKeyOSJGZCUHTGTJHT-JHZZJYKESA-N
ChEBI Ontology
Outgoing Relation(s)
dihydroisoferulic acid 3-glucuronide (CHEBI:189727) is a glycoside (CHEBI:24400)
IUPAC Name 
(2S,3S,4S,5R,6S)-6-[5-(2-carboxyethyl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
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