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(Q104253632)
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English
p-Hydroxybenzyl glucosinolate
group of stereoisomers with the chemical formula C₁₄H₁₉NO₁₀S₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
425.045037808
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₄H₁₉NO₁₀S₂
0 references
canonical SMILES
O=S(=O)(O)ON=C(SC1OC(CO)C(O)C(O)C1O)CC2=CC=C(O)C=C2
0 references
isomeric SMILES
O=S(=O)(O)O/N=C(\Cc1ccc(O)cc1)SC1OC(CO)C(O)C(O)C1O
1 reference
based on heuristic
inferred from InChI
found in taxon
Brassica juncea
1 reference
stated in
Fate of Singrin in Methanol/Ammonia/Water-Hexane Extraction of B. juncea Mustard Seed
Identifiers
InChI
InChI=1S/C14H19NO10S2/c16-6-9-11(18)12(19)13(20)14(24-9)26-10(15-25-27(21,22)23)5-7-1-3-8(17)4-2-7/h1-4,9,11-14,16-20H,5-6H2,(H,21,22,23)/b15-10+
0 references
InChIKey
WWBNBPSEKLOHJU-XNTDXEJSSA-N
0 references
PubChem CID
9573049
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
WWBNBPSEKLOHJU-XNTDXEJSSA-N
UniChem compound ID
43015019
1 reference
stated in
UniChem
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