4-(indol-3-yl)butanoate

4-(indol-3-yl)butanoate




Chemical Formula:
C12H12NO2
Molecular Weight:
202.232 Daltons
Monoisotopic Mass:
203.0946286667 Daltons
SMILES:
C2(C=CC1(=C(C(CCCC(=O)[O-])=CN1)C=2))
InChI:
1S/C12H13NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7H2,(H,14,15)/p-1
InChIKey:
JTEDVYBZBROSJT-UHFFFAOYSA-M

Synonyms
  • γ-(indol-3-yl)butyric acid
  • β-indolylbutyric acid
  • 3-indolebutyric acid
  • 3-indolyl-γ-butyric acid
  • indole-3-butanoate
  • 4-(indol-3-yl)butyric acid
  • indole-3-butyric acid
  • IBA
  • indolebutyric acid
  • indole-3-butyrate

Databases
MetaCyc:  CPD-10507
RefMet:  3-indolebutyri 3-indolebutyric acid
MetaboLights:  MTBLC33070
HMDB:  HMDB02096
DRUGBANK:  DB02740
ChemSpider:  2934315
PubChem (CID):  3702659
ChEBI:  33070 143274
KNApSAcK:  C00000116
KEGG:  C11284
Seed:  cpd08145
MetaNetX:  MNXM18664