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English
3-Isothiocyanato-4-methoxy-1H-indole
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
indole alkaloid
0 references
mass
204.035733876
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₀H₈N₂OS
0 references
canonical SMILES
S=C=NC1=CNC=2C=CC=C(OC)C12
0 references
found in taxon
Arabidopsis thaliana
1 reference
stated in
Phytoalexins and phytoanticipins from the wild crucifers Thellungiella halophila and Arabidopsis thaliana: rapalexin A, wasalexins and camalexin
Eutrema halophilum
1 reference
stated in
Phytoalexins and phytoanticipins from the wild crucifers Thellungiella halophila and Arabidopsis thaliana: rapalexin A, wasalexins and camalexin
Leptosphaeria maculans
1 reference
stated in
The cruciferous phytoalexins rapalexin A, brussalexin A and erucalexin: Chemistry and metabolism in Leptosphaeria maculans
Brassica rapa
1 reference
stated in
The Phytoalexins from Brassicaceae: Structure, Biological Activity, Synthesis and Biosynthesis
Identifiers
InChI
InChI=1S/C10H8N2OS/c1-13-9-4-2-3-7-10(9)8(5-11-7)12-6-14/h2-5,11H,1H3
0 references
InChIKey
DJDFPSQNQFBWJR-UHFFFAOYSA-N
0 references
CAS Registry Number
929083-72-7
0 references
PubChem CID
16102148
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
DJDFPSQNQFBWJR-UHFFFAOYSA-N
UniChem compound ID
32704805
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70582863
1 reference
matched by identifier from
InChIKey
InChIKey
DJDFPSQNQFBWJR-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID20533628
0 references
Human Metabolome Database ID
HMDB0302104
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
DJDFPSQNQFBWJR-UHFFFAOYSA-N
KNApSAcK ID
C00034193
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
DJDFPSQNQFBWJR-UHFFFAOYSA-N
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