CHEBI:189577 - ferulic acid-O-glucoside

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name ferulic acid-O-glucoside
ChEBI ID CHEBI:189577
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H20O9
Net Charge 0
Average Mass 356.327
Monoisotopic Mass 356.11073
InChI InChI=1S/C16H20O9/c1-23-10-6-8(3-5-12(18)19)2-4-9(10)24-16-15(22)14(21)13(20)11(7-17)25-16/h2-6,11,13-17,20-22H,7H2,1H3,(H,18,19)/b5-3+/t11-,13-,14+,15-,16?/m1/s1
InChIKey IEMIRSXOYFWPFD-ZSJFXSENSA-N
SMILES O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)C1OC2=C(OC)C=C(C=C2)/C=C/C(O)=O)CO
Metabolite of Species Details
Vitis vinifera (NCBI:txid29760) Found in Wine (NCIT:C66822). See: MetaboLights Study
ChEBI Ontology
Outgoing ferulic acid-O-glucoside (CHEBI:189577) is a glycoside (CHEBI:24400)
IUPAC Name
(E)-3-[3-methoxy-4-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoic acid
Manual Xref Database
79715434 ChemSpider
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