Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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5-methoxy-3-indoleacetic Acid

Graphical representations:


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Molecular Formula: C11H11NO3

Natural Isotopic Abundance Mass: 205.20994

Mono-Isotopic Molecular Masses:

  • C12N14: 205.0738932246
  • C13N14: 216.1107964404
  • C12N15: 206.0709281178
  • C13N15: 217.1078313336

InChI string: InChI=1S/C11H11NO3/c1-15-8-2-3-10-9(5-8)7(6-12-10)4-11(13)14/h2-3,5-6,12H,4H2,1H3,(H,13,14)

PubChem Compound (CID): 18986
CAS Registry number: 110885-75-1 3471-31-6
Sigma-Aldrich: M14935_ALDRICH
ChEBI: CHEBI:235589
ChemIDplus: 003471316
EINECS: 222-438-3
KEGG Compound ID: M14935_ALDRICH
NIAID: 166242
ChemDB: 4559084
NIST: 2380176688
MMCD: cq_03186
MDL: MFCD00005638

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73,