BENZOIC ACID,3-HYDROXY: 4-O-BETA-D-GLUCOSIDE-6'-SULFATE

Structure

2D structure of BENZOIC ACID,3-HYDROXY: 4-O-BETA-D-GLUCOSIDE-6'-SULFATE
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js.

Names and identifiers

Name

BENZOIC ACID,3-HYDROXY: 4-O-BETA-D-GLUCOSIDE-6'-SULFATE

IUPAC name

((2R,3S,4S,5R,6S)-6-(4-carboxy-2-hydroxyphenoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)methyl sulfate

SMILES

C1=CC(=C(C=C1C(=O)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](CO[S](=O)(=O)[O-])O2)O)O)O

General information

Molecular formula

C13H15O12S-

Molecular weight

395.32 g/mol

Monoisotopic mass

395.0290 Da

Classification

Chemical classification: NPClassifier (Kim et al., 2021)

Plants with the compound

Plant Plant part Amount Reference
Oxalis stricta L. - -
Schildknecht, H., Schumacher, K., Sollner, R. (1983). Plant protectants. part xx. a new nyctinastic compound from the erect clover sorrel, Oxalis stricta. Chem-Ztg, 107(7/8), 233-236