GLUCOSINOLATE,4-BENZOYL-OXY-BUTYL
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 46173484
Name
GLUCOSINOLATE,4-BENZOYL-OXY-BUTYL
IUPAC name
((E)-5-(benzoyloxy)-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)thio)pentylidene)amino sulfate
SMILES
C(CCC\C(=N/O[S](=O)(=O)[O-])S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OC(C2=CC=CC=C2)=O
Molecular formula
C18H24NO11S2-
Molecular weight
494.52 g/mol
Monoisotopic mass
494.0796 Da
Pathway:
Superclass:
Class:
Glycoside:
Yes
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Arabidopsis thaliana (L.) Heynh. | leaf | - |
Hogge, L.R., Reed, D.W., Underhill, E.W., Haughn, G.W. (1988). Hplc separation of glucosinolates from leaves and seeds of Arabidopsis thaliana and their identification usinig thermospray liquid chromatography/mass spectrometry. J Chromatogr Sci, 26(11), 551-556 doi:10.1093/chromsci/26.11.551
|
| Arabidopsis thaliana (L.) Heynh. | seed | - |
Hogge, L.R., Reed, D.W., Underhill, E.W., Haughn, G.W. (1988). Hplc separation of glucosinolates from leaves and seeds of Arabidopsis thaliana and their identification usinig thermospray liquid chromatography/mass spectrometry. J Chromatogr Sci, 26(11), 551-556 doi:10.1093/chromsci/26.11.551
|