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Glucobrassicin
group of stereoisomers with the chemical formula C₁₆H₂₀N₂O₉S₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
tryptamine alkaloid
1 reference
inferred from
tryptamine alkaloid
mass
448.06102222
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₂₀N₂O₉S₂
0 references
canonical SMILES
O=S(=O)(O)ON=C(SC1OC(CO)C(O)C(O)C1O)CC2=CNC=3C=CC=CC32
0 references
isomeric SMILES
O=S(=O)(O)O/N=C(\Cc1c[nH]c2ccccc12)SC1OC(CO)C(O)C(O)C1O
1 reference
based on heuristic
inferred from InChI
found in taxon
Rorippa indica
1 reference
stated in
Glucosinolates of seven medicinal plants from Thailand
Brassica napobrassica
1 reference
stated in
Indole glucosinolates in swede (Brassica napobrassica L. Mill)
radish
2 references
stated in
Antioxidant and free radical scavenging properties of squeezed juice from black radish (Raphanus sativus l. varniger) root
stated in
Glucosinolates and Plant Defense
Brassica oleracea
2 references
stated in
Glucosinolates in cauliflower as biochemical markers for resistance against downy mildew
stated in
Dietary glucosinolates as blocking agents against carcinogenesis: glucosinolate breakdown products assessed by induction of quinone reductase activity in murine hepa1c1c7 cells.
Brassica rapa
1 reference
stated in
Dietary glucosinolates as blocking agents against carcinogenesis: glucosinolate breakdown products assessed by induction of quinone reductase activity in murine hepa1c1c7 cells.
Tovaria pendula
1 reference
stated in
Serotonin and indoleglucosinolate in Tovaria pendula
Rorippa dubia
1 reference
stated in
Glucosinolates of seven medicinal plants from Thailand
rapeseed
1 reference
stated in
Indole glucosinolates in swede (Brassica napobrassica L. Mill)
has characteristic
bitterness
1 reference
stated in
BitterDB
Identifiers
InChI
InChI=1S/C16H20N2O9S2/c19-7-11-13(20)14(21)15(22)16(26-11)28-12(18-27-29(23,24)25)5-8-6-17-10-4-2-1-3-9(8)10/h1-4,6,11,13-17,19-22H,5,7H2,(H,23,24,25)/b18-12+
0 references
InChIKey
DNDNWOWHUWNBCK-LDADJPATSA-N
0 references
PubChem CID
9601691
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
32006793
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-MPI_for_Chemical_Ecology-CE000581
0 references
MSBNK-MPI_for_Chemical_Ecology-CE000582
0 references
MSBNK-MPI_for_Chemical_Ecology-CE000583
0 references
MSBNK-MPI_for_Chemical_Ecology-CE000584
0 references
MSBNK-MPI_for_Chemical_Ecology-CE000585
0 references
MSBNK-MPI_for_Chemical_Ecology-CE000586
0 references
MSBNK-MPI_for_Chemical_Ecology-CE000587
0 references
MSBNK-MPI_for_Chemical_Ecology-CE000588
0 references
MSBNK-MPI_for_Chemical_Ecology-CE000589
0 references
MSBNK-MPI_for_Chemical_Ecology-CE000590
0 references
MSBNK-MPI_for_Chemical_Ecology-CE000591
0 references
MSBNK-MPI_for_Chemical_Ecology-CE000592
0 references
MSBNK-MPI_for_Chemical_Ecology-CE000593
0 references
Cannabis Database ID
005150
1 reference
stated in
Cannabis Database
Human Metabolome Database ID
HMDB0030243
1 reference
based on heuristic
inferred from InChIKey
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