EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

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

ChEBI IDCHEBI:229974
ChEBI Name3-hydroxy-3-(4-O-β-D-glucosyl-3-methoxyphenyl)propanoate
Stars
ASCII Name3-hydroxy-3-(4-O-beta-D-glucosyl-3-methoxyphenyl)propanoate
DefinitionMajor species at pH 7.3.
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC16H21O10
Net Charge-1
Average Mass373.334
Monoisotopic Mass373.11402
SMILESCOc1cc(C(O)CC(=O)[O-])ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=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
InChIKeyVCZRWMYTVKRCOI-VALWFRSZSA-M
ChEBI Ontology
Outgoing Relation(s)
3-hydroxy-3-(4-O-β-D-glucosyl-3-methoxyphenyl)propanoate (CHEBI:229974) is a monocarboxylic acid anion (CHEBI:35757)
UniProt Name  Source
3-hydroxy-3-(4-O-β-D-glucosyl-3-methoxyphenyl)propanoateUniProt