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(Q105119270)
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English
[(E)-[2-(3,4-dihydroxyphenyl)-1-{[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene]amino]oxysulfonic acid
chemical compound
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Statements
instance of
type of chemical entity
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subclass of
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2-(3,4-dihydroxyphenyl)-N-sulfooxyethanimidothioate
1 reference
based on heuristic
inferred from SMILES
mass
441.039952428
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₄H₁₉NO₁₁S₂
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canonical SMILES
O=S(=O)(O)ON=C(SC1OC(CO)C(O)C(O)C1O)CC2=CC=C(O)C(O)=C2
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isomeric SMILES
O=S(=O)(O)O/N=C(\Cc1ccc(O)c(O)c1)S[C@H]1O[C@@H](CO)[C@H](O)[C@H](O)[C@H]1O
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found in taxon
Bretschneidera sinensis
1 reference
stated in
Glucosinolates in Bretschneideraceae
Identifiers
InChI
InChI=1S/C14H19NO11S2/c16-5-9-11(19)12(20)13(21)14(25-9)27-10(15-26-28(22,23)24)4-6-1-2-7(17)8(18)3-6/h1-3,9,11-14,16-21H,4-5H2,(H,22,23,24)/b15-10+/t9-,11-,12-,13+,14+/m0/s1
0 references
InChIKey
IRWRWWWOVJHRSA-MEYHHWGLSA-N
0 references
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