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CHEBI:136932 - 3-(isothiocyanatomethyl)-1-methoxyindole

ChEBI IDCHEBI:136932
ChEBI Name3-(isothiocyanatomethyl)-1-methoxyindole
Stars
DefinitionA member of the class of indoles that is 1H-indole carrying methoxy and isothiocyanatomethyl substituents at positions 1 and 3 respectively.
Last Modified18 April 2018
Submittermwilliams
DownloadsMolfile
FormulaC11H10N2OS
Net Charge0
Average Mass218.281
Monoisotopic Mass218.05138
SMILESCOn1cc(CN=C=S)c2ccccc21
InChIInChI=1S/C11H10N2OS/c1-14-13-7-9(6-12-8-15)10-4-2-3-5-11(10)13/h2-5,7H,6H2,1H3
InChIKeyFLURSKCCKANNKS-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Arabidopsis thaliana (ncbitaxon:3702)
- MetaboLights (MTBLS272)
- PubMed (27656890)
Roles Classification
Biological Role:
Arabidopsis thaliana metabolite  Any plant metabolite that is produced by Arabidopsis thaliana.
ChEBI Ontology
Outgoing Relation(s)
3-(isothiocyanatomethyl)-1-methoxyindole (CHEBI:136932) has role Arabidopsis thaliana metabolite (CHEBI:140602)
3-(isothiocyanatomethyl)-1-methoxyindole (CHEBI:136932) is a indoles (CHEBI:24828)
3-(isothiocyanatomethyl)-1-methoxyindole (CHEBI:136932) is a isothiocyanate (CHEBI:52221)
IUPAC Name 
3-(isothiocyanatomethyl)-1-methoxy-1H-indole
Synonyms  Source
(1-methoxyindol-3-yl)methyl isothiocyanateChEBI
1-methoxyindol-3-ylmethyl isothiocyanateChEBI
Manual XrefsDatabases
10709973ChemSpider
HMDB0038463HMDB
Registry NumbersSources
Reaxys:3549092Reaxys