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(Q105195358)
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English
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 7-methylsulfinyl-N-sulfooxyheptanimidothioate
group of stereoisomers with the chemical formula C₁₄H₂₇NO₁₀S₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
465.079709064
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₄H₂₇NO₁₀S₃
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canonical SMILES
O=S(=O)(O)ON=C(SC1OC(CO)C(O)C(O)C1O)CCCCCC[S+]([O-])C
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found in taxon
Dithyrea californica
1 reference
stated in
Updated glucosinolate profile of Dithyrea wislizenii
Dimorphocarpa wislizenii
1 reference
stated in
Updated glucosinolate profile of Dithyrea wislizenii
Erysimum asperum
1 reference
stated in
ω-Methylthioalkylglucosinolates and some oxidized congeners in seeds of Erysimum rhaeticum
Arabidopsis thaliana
4 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
stated in
The Lipopolysaccharide-Induced Metabolome Signature in Arabidopsis thaliana Reveals Dynamic Reprogramming of Phytoalexin and Phytoanticipin Pathways
stated in
AtMetExpress development: a phytochemical atlas of Arabidopsis development
Dimorphocarpa wislizeni
1 reference
stated in
Updated glucosinolate profile of Dithyrea wislizenii
Identifiers
InChI
InChI=1S/C14H27NO10S3/c1-27(20)7-5-3-2-4-6-10(15-25-28(21,22)23)26-14-13(19)12(18)11(17)9(8-16)24-14/h9,11-14,16-19H,2-8H2,1H3,(H,21,22,23)
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InChIKey
OOGAQHVYHLPICD-UHFFFAOYSA-N
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PubChem CID
74960764
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
77893265
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-RIKEN-PR309208
1 reference
InChIKey
OOGAQHVYHLPICD-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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