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CHEBI:189724 - ferulic acid 4-glucuronide

ChEBI IDCHEBI:189724
ChEBI Nameferulic acid 4-glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H18O10
Net Charge0
Average Mass370.310
Monoisotopic Mass370.09000
SMILESCOc1cc(/C=C/C(=O)O)ccc1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C16H18O10/c1-24-9-6-7(3-5-10(17)18)2-4-8(9)25-16-13(21)11(19)12(20)14(26-16)15(22)23/h2-6,11-14,16,19-21H,1H3,(H,17,18)(H,22,23)/b5-3+/t11-,12-,13+,14-,16+/m0/s1
InChIKeyTWSIWBHKRJLZCF-MBAOVNHDSA-N
ChEBI Ontology
Outgoing Relation(s)
ferulic acid 4-glucuronide (CHEBI:189724) is a glycoside (CHEBI:24400)
ferulic acid 4-glucuronide (CHEBI:189724) is conjugate acid of (E)-4-O-(β-D-glucuronosyl)-ferulate(2−) (CHEBI:231331)
Incoming Relation(s)
(E)-4-O-(β-D-glucuronosyl)-ferulate(2−) (CHEBI:231331) is conjugate base of ferulic acid 4-glucuronide (CHEBI:189724)
IUPAC Name 
(2S,3S,4S,5R,6S)-6-[4-[(E)-2-carboxyethenyl]-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
4947174ChemSpider
HMDB0041733HMDB
Registry NumbersSources
CAS:86321-24-6ChemIDplus