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(Q115946872)
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English
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 5-methyl-N-sulfooxyhexanimidothioate
group of stereoisomers with the chemical formula C₁₃H₂₅NO₉S₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
403.09707338
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₂₅NO₉S₂
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canonical SMILES
O=S(=O)(O)ON=C(SC1OC(CO)C(O)C(O)C1O)CCCC(C)C
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found in taxon
Arabidopsis thaliana
2 references
stated in
Benzoic acid glucosinolate esters and other glucosinolates from Arabidopsis thaliana
stated in
Identification of primary and secondary metabolites with phosphorus status-dependent abundance inArabidopsis, and of the transcription factor PHR1 as a major regulator of metabolic changes during phosphorus limitation
Identifiers
InChI
InChI=1S/C13H25NO9S2/c1-7(2)4-3-5-9(14-23-25(19,20)21)24-13-12(18)11(17)10(16)8(6-15)22-13/h7-8,10-13,15-18H,3-6H2,1-2H3,(H,19,20,21)
0 references
InChIKey
PVFJQLBPPQHTLU-UHFFFAOYSA-N
0 references
PubChem CID
145994454
1 reference
stated in
PubChem
retrieved
2 January 2023
based on heuristic
inferred from InChIKey
UniChem compound ID
177386217
1 reference
stated in
UniChem
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