GLUCOBRASSICIN
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 656506
Name
GLUCOBRASSICIN
Also reported as
INDOLE-3-YL,METHYL-GLUCOSINOLATE
IUPAC name
((((Z)-2-(1H-indol-3-yl)-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)thio)ethylidene)amino)oxy)sulfonic acid
SMILES
C1=CC=C2C(=C1)C(=CN2)CC(=NOS(=O)(=O)O)S[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
Molecular formula
C16H20N2O9S2
Molecular weight
448.48 g/mol
Monoisotopic mass
448.0610 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. | leaf | - |
Nakabayashi, R., Kusano, M., Kobayashi, M., Tohge, T., Yonekura-sakakibara, K., Kogure, N., Yamazaki, M., Kitajima, M., Saito, K., Takayama, H. (2009). Metabolomics-oriented isolation and structure elucidation of 37 compounds including two anthocyanins from Arabidopsis thaliana Phytochemistry, 70(8), 1017-1029 doi:10.1016/j.phytochem.2009.03.021
|
| 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
|