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(Q105313908)
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sinalbin
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Statements
instance of
type of chemical entity
0 references
subclass of
p-Hydroxybenzyl glucosinolate
1 reference
based on heuristic
inferred from SMILES
sinalbin
1 reference
based on heuristic
inferred from SMILES
mass
425.045037808
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-2-(4-hydroxyphenyl)-N-sulfooxyethanimidothioate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(1E)-Sinalbin
1 reference
based on heuristic
inferred from InChI
sinalbin
1 reference
based on heuristic
inferred from InChI
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)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
0 references
found in taxon
Brassica juncea
1 reference
stated in
Three glucosinolates from seeds of Brassica juncea
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-/t9-,11-,12+,13-,14+/m1/s1
0 references
InChIKey
WWBNBPSEKLOHJU-RFEZBLSLSA-N
0 references
PubChem CID
6602400
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
WWBNBPSEKLOHJU-RFEZBLSLSA-N
SureChEMBL ID
SCHEMBL419157
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
WWBNBPSEKLOHJU-RFEZBLSLSA-N
UniChem compound ID
63361651
1 reference
stated in
UniChem
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