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(Q105129829)
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Wasalexin 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=C1C(=CN=C(SC)SC)C=2C=CC=CC2N1OC
0 references
isomeric SMILES
CON1C(=O)/C(=C\N=C(SC)SC)c2ccccc21
1 reference
based on heuristic
inferred from InChI
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
Eutrema japonicum
1 reference
stated in
Wasalexins A and B, new phytoalexins from wasabi: Isolation, synthesis, and antifungal activity
Identifiers
InChI
InChI=1S/C13H14N2O2S2/c1-17-15-11-7-5-4-6-9(11)10(12(15)16)8-14-13(18-2)19-3/h4-8H,1-3H3/b10-8-
0 references
InChIKey
JJQPWCPYNJNWID-NTMALXAHSA-N
0 references
PubChem CID
11380859
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
JJQPWCPYNJNWID-NTMALXAHSA-N
ChEBI ID
174781
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C13H14N2O2S2/c1-17-15-11-7-5-4-6-9(11)10(12(15)16)8-14-13(18-2)19-3/h4-8H,1-3H3/b10-8-
UniChem compound ID
32017486
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0034768
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JJQPWCPYNJNWID-NTMALXAHSA-N
KNApSAcK ID
C00026891
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JJQPWCPYNJNWID-NTMALXAHSA-N
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