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(Q105331143)
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Glucobrassicanapin
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] N-sulfooxyhex-5-enimidothioate
1 reference
based on heuristic
inferred from SMILES
[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-N-sulfooxyhex-5-enimidothioate
1 reference
based on heuristic
inferred from SMILES
mass
387.065773252
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
4-Pentenylglucosinolate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-N-sulfooxyhex-5-enimidothioate
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₂H₂₁NO₉S₂
0 references
canonical SMILES
O=S(=O)(O)ON=C(SC1OC(CO)C(O)C(O)C1O)CCCC=C
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isomeric SMILES
C=CCCC/C(=N/OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
0 references
found in taxon
Lepidium peruvianum
1 reference
stated in
Glucosinolate contents in maca (Lepidium peruvianum Chacón) seeds, sprouts, mature plants and several derived commercial products
rapeseed
1 reference
stated in
Separation and determination of intact glucosinolates in rapeseed by high-performance liquid chromatography
Brassica oleracea
1 reference
stated in
Glucosinolates of wild and cultivated Brassica species
Brassica montana
1 reference
stated in
Glucosinolates of wild and cultivated Brassica species
Hirschfeldia incana
1 reference
stated in
Glucosinolates of wild and cultivated Brassica species
Brassica incana
1 reference
stated in
Glucosinolates of wild and cultivated Brassica species
Brassica rupestris
1 reference
stated in
Glucosinolates of wild and cultivated Brassica species
Brassica macrocarpa
1 reference
stated in
Glucosinolates of wild and cultivated Brassica species
Brassica insularis
1 reference
stated in
Glucosinolates of wild and cultivated Brassica species
Brassica cretica
1 reference
stated in
Glucosinolates of wild and cultivated Brassica species
Brassica rapa
1 reference
stated in
Glucosinolates of wild and cultivated Brassica species
Lepidium meyenii
1 reference
stated in
Glucosinolate contents in maca (Lepidium peruvianum Chacón) seeds, sprouts, mature plants and several derived commercial products
Identifiers
InChI
InChI=1S/C12H21NO9S2/c1-2-3-4-5-8(13-22-24(18,19)20)23-12-11(17)10(16)9(15)7(6-14)21-12/h2,7,9-12,14-17H,1,3-6H2,(H,18,19,20)/b13-8-/t7-,9-,10+,11-,12+/m1/s1
0 references
InChIKey
XMJFVIGTHMOGNZ-AHMUMSBHSA-N
0 references
PubChem CID
5485207
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
ChEBI ID
79318
mapping relation type
exact match
1 reference
stated in
ChEBI release 2021-03-01
UniChem compound ID
32690132
1 reference
stated in
UniChem
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