ISOSALICIN

Structure

2D structure of ISOSALICIN
2D structure
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3D model

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

Names and identifiers

Name

ISOSALICIN

IUPAC name

(2S,3S,4R,5R,6S)-2-((2-hydroxybenzyl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol

SMILES

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

General information

Molecular formula

C13H18O7

Molecular weight

286.28 g/mol

Monoisotopic mass

286.1053 Da

Classification

Pathway:
Superclass:
-
Class:
-
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Crepis foetida L. subsp. foetida root -
Kisiel, W., Barszcz, B. (1999). Sesquiterpenoids and phenolics from roots of Crepis foetida. Pol J Chem, 73(3), 569-571 doi:10.1002/chin.199927201