CHEBI:229974 - 3-hydroxy-3-(4-O-β-D-glucosyl-3-methoxyphenyl)propanoate

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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 3-hydroxy-3-(4-O-β-D-glucosyl-3-methoxyphenyl)propanoate
ChEBI ID CHEBI:229974
ChEBI ASCII Name 3-hydroxy-3-(4-O-beta-D-glucosyl-3-methoxyphenyl)propanoate
Definition Major species at pH 7.3.
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C16H21O10
Net Charge -1
Average Mass 373.335
Monoisotopic Mass 373.11402
InChI InChI=1S/C16H22O10/c1-24-10-4-7(8(18)5-12(19)20)2-3-9(10)25-16-15(23)14(22)13(21)11(6-17)26-16/h2-4,8,11,13-18,21-23H,5-6H2,1H3,(H,19,20)/p-1/t8?,11-,13-,14+,15-,16-/m1/s1
InChIKey VCZRWMYTVKRCOI-VALWFRSZSA-M
SMILES C=1C(=CC(=C(C1)O[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO)OC)C(CC(=O)[O-])O
ChEBI Ontology
Outgoing 3-hydroxy-3-(4-O-β-D-glucosyl-3-methoxyphenyl)propanoate (CHEBI:229974) is a monocarboxylic acid anion (CHEBI:35757)
Synonym Source
3-hydroxy-3-(4-O-β-D-glucosyl-3-methoxyphenyl)propanoate UniProt