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Spirobrassinin
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
5'-(methylsulfanyl)-3'H-spiro[indole-3,2'-[1,4]thiazol]-2-ol
1 reference
based on heuristic
inferred from SMILES
mass
250.02345494
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(3R)-2'-methylsulfanylspiro[1H-indole-3,5'-4H-1,3-thiazole]-2-one
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₁H₁₀N₂OS₂
0 references
canonical SMILES
CSC1=NCC2(S1)C(=O)Nc1ccccc12
0 references
isomeric SMILES
CSC1=NC[C@]2(S1)C(=O)Nc1ccccc12
0 references
found in taxon
Brassica oleracea
1 reference
stated in
4-Methoxybrassinin, a sulphur-containing phytoalexin from Brassica oleracea
radish
2 references
stated in
Three sulphur-containing stress metabolites from Japanese radish
stated in
Spirobrassinin, a Novel Sulfur-containing Phytoalexin from the DaikonRhaphanus sativusL. var.hortensis(Cruciferae)
Brassica juncea
1 reference
stated in
Assembling the biosynthetic puzzle of crucifer metabolites: indole-3-acetaldoxime is incorporated efficiently into phytoalexins but glucobrassicin is not.
Brassica rapa
2 references
stated in
Biosynthesis of cruciferous phytoalexins: the involvement of a molecular rearrangement in the biosynthesis of brassinin
stated in
Brassicanals A and B, Novel Sulfur-Containing Phytoalexins from the Chinese CabbageBrassica campestrisL. ssp.pekinensis
Identifiers
InChI
InChI=1S/C11H10N2OS2/c1-15-10-12-6-11(16-10)7-4-2-3-5-8(7)13-9(11)14/h2-5H,6H2,1H3,(H,13,14)/t11-/m1/s1
0 references
InChIKey
FUHQSEOSBHASCH-LLVKDONJSA-N
0 references
CAS Registry Number
113866-40-3
0 references
PubChem CID
188830
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
32316955
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60904136
0 references
DSSTOX compound identifier
DTXCID601332020
0 references
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