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(Q110078073)
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English
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 9-methylsulfanyl-N-sulfooxynonanimidothioate
group of stereoisomers with the chemical formula C₁₆H₃₁NO₉S₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
477.116094572
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₃₁NO₉S₃
0 references
canonical SMILES
O=S(=O)(O)ON=C(SC1OC(CO)C(O)C(O)C1O)CCCCCCCCSC
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found in taxon
Arabidopsis thaliana
2 references
stated in
Variation of glucosinolate accumulation among different organs and developmental stages of Arabidopsis thaliana
stated in
Cytochrome p450 CYP79F1 from arabidopsis catalyzes the conversion of dihomomethionine and trihomomethionine to the corresponding aldoximes in the biosynthesis of aliphatic glucosinolates
Identifiers
InChI
InChI=1S/C16H31NO9S3/c1-27-9-7-5-3-2-4-6-8-12(17-26-29(22,23)24)28-16-15(21)14(20)13(19)11(10-18)25-16/h11,13-16,18-21H,2-10H2,1H3,(H,22,23,24)
0 references
InChIKey
CWOJBEDMJKZKAB-UHFFFAOYSA-N
0 references
PubChem CID
74960825
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
CWOJBEDMJKZKAB-UHFFFAOYSA-N
UniChem compound ID
77893324
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-RIKEN-PR309215
1 reference
InChIKey
CWOJBEDMJKZKAB-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
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