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(Q76403354)
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4-Pentenylglucosinolate
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
387.06577325199993
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-N-sulfooxyhex-5-enimidothioate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
Glucobrassicanapin
2 references
based on heuristic
inferred from InChIKey
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]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
0 references
found in taxon
Carrichtera annua
1 reference
stated in
Distribution and chemotaxonomic significance of glucosinolates in certain Middle-Eastern cruciferae
Fibigia clypeata
1 reference
stated in
Distribution and chemotaxonomic significance of glucosinolates in certain Middle-Eastern cruciferae
Fibigia macrocarpa
1 reference
stated in
Distribution and chemotaxonomic significance of glucosinolates in certain Middle-Eastern cruciferae
Brassica campestris
1 reference
stated in
MYB transcription factors regulate glucosinolate biosynthesis in different organs of Chinese cabbage (Brassica rapa ssp. pekinensis).
Brassica rapa
2 references
stated in
MYB transcription factors regulate glucosinolate biosynthesis in different organs of Chinese cabbage (Brassica rapa ssp. pekinensis).
stated in
Glucosinolates of wild and cultivated Brassica species
Brassica juncea
1 reference
stated in
MYB transcription factors regulate glucosinolate biosynthesis in different organs of Chinese cabbage (Brassica rapa ssp. pekinensis).
rapeseed
2 references
stated in
MYB transcription factors regulate glucosinolate biosynthesis in different organs of Chinese cabbage (Brassica rapa ssp. pekinensis).
stated in
Separation and determination of intact glucosinolates in rapeseed by high-performance liquid chromatography
Brassica oleracea
2 references
stated in
MYB transcription factors regulate glucosinolate biosynthesis in different organs of Chinese cabbage (Brassica rapa ssp. pekinensis).
stated in
Glucosinolates of wild and cultivated Brassica species
Brassica cretica
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 insularis
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 montana
1 reference
stated in
Glucosinolates of wild and cultivated Brassica species
Brassica rupestris
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
Lepidium peruvianum
1 reference
stated in
Glucosinolate contents in maca (Lepidium peruvianum Chacón) seeds, sprouts, mature plants and several derived commercial products
Eruca sativa
1 reference
stated in
Naturally occurring glucosinolates in plant extracts of rocket salad (Eruca sativa L.) identified by liquid chromatography coupled with negative ion electrospray ionization and quadrupole ion-trap mass spectrometry
Hirschfeldia incana
1 reference
stated in
Distribution and chemotaxonomic significance of glucosinolates in certain Middle-Eastern cruciferae
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-KALKGZTMSA-N
0 references
PubChem CID
9548628
0 references
UniChem compound ID
61314106
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0038417
1 reference
based on heuristic
inferred from InChIKey
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