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(Q105008506)
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Brassitin
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
indole alkaloid
0 references
mass
220.067034004
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₁H₁₂N₂OS
0 references
canonical SMILES
CSC(=O)NCc1c[nH]c2ccccc12
0 references
found in taxon
radish
1 reference
stated in
Three sulphur-containing stress metabolites from Japanese radish
Pseudomonas cichorii
1 reference
stated in
Antifungal compounds from Dioscorea batatas inoculated with Pseudomonas cichorii
Brassica rapa
1 reference
stated in
Novel Sulfur-Containing Phytoalexins from the Chinese CabbageBrassica campestrisL. ssp.pekinensis(Cruciferae)
Brassica oleracea
1 reference
stated in
Phytoalexins from Brassica (Cruciferae) as oviposition stimulants for the cabbage root fly, Delia radicum
Identifiers
InChI
InChI=1S/C11H12N2OS/c1-15-11(14)13-7-8-6-12-10-5-3-2-4-9(8)10/h2-6,12H,7H2,1H3,(H,13,14)
0 references
InChIKey
GHGDPZHQDKPWOJ-UHFFFAOYSA-N
0 references
CAS Registry Number
113866-42-5
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
10036413
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
GHGDPZHQDKPWOJ-UHFFFAOYSA-N
ChEBI ID
173633
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C11H12N2OS/c1-15-11(14)13-7-8-6-12-10-5-3-2-4-9(8)10/h2-6,12H,7H2,1H3,(H,13,14)
UniChem compound ID
432014
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID701319122
1 reference
matched by identifier from
InChIKey
InChIKey
GHGDPZHQDKPWOJ-UHFFFAOYSA-N
Human Metabolome Database ID
HMDB0040977
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
GHGDPZHQDKPWOJ-UHFFFAOYSA-N
KNApSAcK ID
C00036838
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
GHGDPZHQDKPWOJ-UHFFFAOYSA-N
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