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(Q105015397)
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Methoxybrassenin A
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
indole alkaloid
0 references
mass
280.070405132
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₁₆N₂OS₂
0 references
canonical SMILES
N(=C(SC)SC)CC1=CN(OC)C=2C=CC=CC21
0 references
found in taxon
Brassica oleracea
1 reference
stated in
Methoxybrassenins A and B, sulphur-containing stress metabolites from Brassica oleracea var. Capitata
white cabbage
1 reference
stated in
Methoxybrassenins A and B, sulphur-containing stress metabolites from Brassica oleracea var. Capitata
Identifiers
InChI
InChI=1S/C13H16N2OS2/c1-16-15-9-10(8-14-13(17-2)18-3)11-6-4-5-7-12(11)15/h4-7,9H,8H2,1-3H3
0 references
InChIKey
GQIAOJZSWXEICD-UHFFFAOYSA-N
0 references
CAS Registry Number
142449-74-9
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
101618767
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
32000282
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0038635
1 reference
based on heuristic
inferred from InChIKey
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