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CHEBI:224334 - 1H-indole-3-carboxylic acid, 1-(1,1-dimethyl-2-propenyl) methyl ester

ChEBI IDCHEBI:224334
ChEBI Name1H-indole-3-carboxylic acid, 1-(1,1-dimethyl-2-propenyl) methyl ester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H17NO2
Net Charge0
Average Mass243.306
Monoisotopic Mass243.12593
SMILESC=CC(C)(C)n1cc(C(=O)OC)c2ccccc21
InChIInChI=1S/C15H17NO2/c1-5-15(2,3)16-10-12(14(17)18-4)11-8-6-7-9-13(11)16/h5-10H,1H2,2-4H3
InChIKeyYVHMEMILZVDHEE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Elmerina caryae (ncbitaxon:1211726) - DOI (10.1016/s0031-9422(00)00127-8)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
1H-indole-3-carboxylic acid, 1-(1,1-dimethyl-2-propenyl) methyl ester (CHEBI:224334) is a indolyl carboxylic acid (CHEBI:46867)
IUPAC Name 
methyl 1-(2-methylbut-3-en-2-yl)indole-3-carboxylate
Manual XrefsDatabases
9951230ChemSpider