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CHEBI:189369 - 1H-indole-3-carboxylic acid, 1-(2,3-dihydroxy-1,1-dimethylpropyl) methyl ester

ChEBI IDCHEBI:189369
ChEBI Name1H-indole-3-carboxylic acid, 1-(2,3-dihydroxy-1,1-dimethylpropyl) methyl ester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H19NO4
Net Charge0
Average Mass277.320
Monoisotopic Mass277.13141
SMILESCOC(=O)c1cn(C(C)(C)[C@H](O)CO)c2ccccc12
InChIInChI=1S/C15H19NO4/c1-15(2,13(18)9-17)16-8-11(14(19)20-3)10-6-4-5-7-12(10)16/h4-8,13,17-18H,9H2,1-3H3/t13-/m1/s1
InChIKeyBLYSKLWIPQGBES-CYBMUJFWSA-N
Species of MetaboliteComponentSourceComments
Arabidopsis thaliana (ncbitaxon:3702) leaf (BTO:0000713) MetaboLights (MTBLS3997)
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-(2,3-dihydroxy-1,1-dimethylpropyl) methyl ester (CHEBI:189369) is a indolyl carboxylic acid (CHEBI:46867)
IUPAC Name 
methyl 1-[(3S)-3,4-dihydroxy-2-methylbutan-2-yl]indole-3-carboxylate
Manual XrefsDatabases
8644147ChemSpider