CHEBI:189724 - ferulic acid 4-glucuronide

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ChEBI Name ferulic acid 4-glucuronide
ChEBI ID CHEBI:189724
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
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Formula C16H18O10
Net Charge 0
Average Mass 370.310
Monoisotopic Mass 370.09000
InChI InChI=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
InChIKey TWSIWBHKRJLZCF-MBAOVNHDSA-N
SMILES O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=C(OC)C=C(C=C2)/C=C/C(O)=O)C(O)=O
ChEBI Ontology
Outgoing 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 (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 Xrefs Databases
4947174 ChemSpider
HMDB0041733 HMDB
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Registry Number Type Source
86321-24-6 CAS Registry Number ChemIDplus