Name: Glucobrassicin potassium
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HIT ID:HIT218832950
Cas No:
Common Name:Glucobrassicin potassium
IUPAC:potassium (Z)-[2-(1H-indol-3-yl)-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene]amino sulfate
IUPAC:potassium (Z)-[2-(1H-indol-3-yl)-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene]amino sulfate
InChIKey:NSURXWDIGUNLJB-AGVSWHMJSA-M

Molecular Formula:C16H19KN2O9S2
Molecular Weight:486.55
Hydrogen Bond Donor (HBD):
Hydrogen Bond Acceptor (HBA):
LogP:
SMILES:[K+].OC[C@H]1O[C@@H](S\C(Cc2c[nH]c3ccccc23)=N/OS([O-])(=O)=O)[C@H](O)[C@@H](O)[C@@H]1O
SMILES:[K+].OC[C@H]1O[C@@H](S\C(Cc2c[nH]c3ccccc23)=N/OS([O-])(=O)=O)[C@H](O)[C@@H](O)[C@@H]1O

Glucobrassicin (potassium), a glucosinolate (GSL) derived from wild carrot (Raphanus raphanistrum L.), is utilized in biological fumigation and allelopathy studies for weed control [1].

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