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Methoxybrassenin B
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
indole alkaloid
0 references
mass
294.049669688
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₁₄N₂O₂S₂
0 references
canonical SMILES
O=C(N=C(SC)SC)C1=CN(OC)C=2C=CC=CC12
0 references
found in taxon
Eutrema halophilum
1 reference
stated in
Phytoalexins and phytoanticipins from the wild crucifers Thellungiella halophila and Arabidopsis thaliana: rapalexin A, wasalexins and camalexin
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/C13H14N2O2S2/c1-17-15-8-10(9-6-4-5-7-11(9)15)12(16)14-13(18-2)19-3/h4-8H,1-3H3
0 references
InChIKey
NFGCTENDKLNJTI-UHFFFAOYSA-N
0 references
CAS Registry Number
142449-75-0
1 reference
InChIKey
NFGCTENDKLNJTI-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=142449-75-0
PubChem CID
15145690
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
ChEBI ID
174782
mapping relation type
exact match
1 reference
stated in
ChEBI release 2022-06-13
UniChem compound ID
31997551
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90569030
0 references
DSSTOX compound identifier
DTXCID80519802
0 references
NSC number
732256
0 references
Human Metabolome Database ID
HMDB0038636
1 reference
based on heuristic
inferred from InChIKey
KNApSAcK ID
C00034053
1 reference
based on heuristic
inferred from InChIKey
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