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(Q105005547)
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English
[(E)-[(3S)-3-hydroxy-3-phenyl-1-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}propylidene]amino]oxysulfonic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(2R)-2-Hydroxy-2-phenylethyl glucosinolate
1 reference
based on heuristic
inferred from SMILES
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 3-hydroxy-3-phenyl-N-sulfooxypropanimidothioate
1 reference
based on heuristic
inferred from SMILES
mass
439.060687872
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
[(E)-[(3R)-3-hydroxy-3-phenyl-1-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}propylidene]amino]oxysulfonic acid
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
Q63393054
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E,3S)-3-hydroxy-3-phenyl-N-sulfooxypropanimidothioate
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₁NO₁₀S₂
0 references
canonical SMILES
O=S(=O)(O)ON=C(SC1OC(CO)C(O)C(O)C1O)CC(O)C=2C=CC=CC2
0 references
isomeric SMILES
O=S(=O)(O)O/N=C(\C[C@H](O)c1ccccc1)S[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O
0 references
found in taxon
Barbarea vulgaris
1 reference
stated in
Oviposition stimulants inBarbarea vulgaris forPieris rapae andP. napi oleracea: isolation, identification and differential activity
Identifiers
InChI
InChI=1S/C15H21NO10S2/c17-7-10-12(19)13(20)14(21)15(25-10)27-11(16-26-28(22,23)24)6-9(18)8-4-2-1-3-5-8/h1-5,9-10,12-15,17-21H,6-7H2,(H,22,23,24)/b16-11+/t9-,10-,12-,13+,14-,15+/m0/s1
0 references
InChIKey
GAPDDBFHNYHZIS-SPWHPWPHSA-N
0 references
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