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DL-indole-3-lactic acid
SpectraBase Compound ID 9X9ODcM3Jv7
InChI InChI=1S/C11H11NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,10,12-13H,5H2,(H,14,15)
InChIKey XGILAAMKEQUXLS-UHFFFAOYSA-N
Mol Weight 205.21 g/mol
Molecular Formula C11H11NO3
Exact Mass 205.073893 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 271sIFTmxAK
Name DL-Indole-3-lactic acid
Acquisition Mode SIMULTANEOUS
CAS Registry Number 1821-52-9; 832-97-3
ChEBI ID 24813
Comments Saturated dl-Indole-3-lactic acid - Sigma-Aldrich Solvent D2O Buffer sodium phosphate Cytocide sodium azide Reference DSS; pH 7.4, temperature 298 K
Copyright Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved.
Data Source Madison Metabolomics Consortium
Formula C11 H11 N O3
IUPAC Name 2-hydroxy-3-(1H-indol-3-yl)propanoic acid; 2-hydroxy-3-(1H-indol-3-yl)propionic acid
InChI InChI=1S/C11H11NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,10,12-13H,5H2,(H,14,15)
InChIKey XGILAAMKEQUXLS-UHFFFAOYSA-N
KEGG Compound ID C02043
KEGG Pathways PATH: ko00380 Tryptophan metabolism
PubChem Compound ID 92904
SMILES C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)O
Source File Reference bmse000409