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(Q105012023)
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English
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 5-methylsulfinyl-N-sulfooxypentanimidothioate
group of stereoisomers with the chemical formula C₁₂H₂₃NO₁₀S₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
437.048408936
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₂H₂₃NO₁₀S₃
0 references
canonical SMILES
O=S(=O)(O)ON=C(SC1OC(CO)C(O)C(O)C1O)CCCC[S+]([O-])C
0 references
found in taxon
Erysimum perofskianum
1 reference
stated in
Untersuchungen über Senföle. II. Erysolin, ein Sulfonsenföl aus Erysimum perowskianum
Brassica rapa
1 reference
stated in
Seasonal variation in glucosinolate content in Brassica oleracea crops grown in northwestern Spain
Brassica oleracea
2 references
stated in
Glucoraphasatin and glucoraphenin, a redox pair of glucosinolates of brassicaceae, differently affect metabolizing enzymes in rats
stated in
Variation of glucosinolates in vegetable crops of Brassica rapa
white cabbage
2 references
stated in
Variation of glucosinolates in vegetable crops of Brassica rapa
stated in
Seasonal variation in glucosinolate content in Brassica oleracea crops grown in northwestern Spain
Brassica oleracea var. botrytis
2 references
stated in
Variation of glucosinolates in vegetable crops of Brassica rapa
stated in
Seasonal variation in glucosinolate content in Brassica oleracea crops grown in northwestern Spain
broccoli
2 references
stated in
Variation of glucosinolates in vegetable crops of Brassica rapa
stated in
Seasonal variation in glucosinolate content in Brassica oleracea crops grown in northwestern Spain
Brussels sprouts
2 references
stated in
Variation of glucosinolates in vegetable crops of Brassica rapa
stated in
Seasonal variation in glucosinolate content in Brassica oleracea crops grown in northwestern Spain
Arabidopsis thaliana
1 reference
stated in
AtMetExpress development: a phytochemical atlas of Arabidopsis development
Identifiers
InChI
InChI=1S/C12H23NO10S3/c1-25(18)5-3-2-4-8(13-23-26(19,20)21)24-12-11(17)10(16)9(15)7(6-14)22-12/h7,9-12,14-17H,2-6H2,1H3,(H,19,20,21)
0 references
InChIKey
GMMLNKINDDUDCF-UHFFFAOYSA-N
0 references
PubChem CID
4479912
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
GMMLNKINDDUDCF-UHFFFAOYSA-N
UniChem compound ID
42757947
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-RIKEN-PR309204
1 reference
InChIKey
GMMLNKINDDUDCF-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_ReSpect-PS050901
1 reference
InChIKey
GMMLNKINDDUDCF-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_ReSpect-PS050903
1 reference
InChIKey
GMMLNKINDDUDCF-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_ReSpect-PS050905
1 reference
InChIKey
GMMLNKINDDUDCF-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_ReSpect-PS050908
1 reference
InChIKey
GMMLNKINDDUDCF-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_ReSpect-PS050907
1 reference
InChIKey
GMMLNKINDDUDCF-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_ReSpect-PS050911
1 reference
InChIKey
GMMLNKINDDUDCF-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_ReSpect-PS050912
1 reference
InChIKey
GMMLNKINDDUDCF-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_ReSpect-PS107501
1 reference
InChIKey
GMMLNKINDDUDCF-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_ReSpect-PS107503
1 reference
InChIKey
GMMLNKINDDUDCF-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_ReSpect-PS107507
1 reference
InChIKey
GMMLNKINDDUDCF-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_ReSpect-PS107509
1 reference
InChIKey
GMMLNKINDDUDCF-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_ReSpect-PS107511
1 reference
InChIKey
GMMLNKINDDUDCF-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_ReSpect-PS107512
1 reference
InChIKey
GMMLNKINDDUDCF-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_ReSpect-PT110750
1 reference
InChIKey
GMMLNKINDDUDCF-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_ReSpect-PT205090
1 reference
InChIKey
GMMLNKINDDUDCF-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_ReSpect-PS050902
1 reference
InChIKey
GMMLNKINDDUDCF-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_ReSpect-PS050909
1 reference
InChIKey
GMMLNKINDDUDCF-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_ReSpect-PS107502
1 reference
InChIKey
GMMLNKINDDUDCF-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_ReSpect-PS107508
1 reference
InChIKey
GMMLNKINDDUDCF-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_ReSpect-PS107510
1 reference
InChIKey
GMMLNKINDDUDCF-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
Human Metabolome Database ID
HMDB0259647
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
GMMLNKINDDUDCF-UHFFFAOYSA-N
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