Biological Magnetic Resonance Data BankA Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules |
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INDOLEACETIC ACID, 5-HYDROXY-; Indoleacetic acid, 5-hydroxy-; 1H-Indoleacetic acid, hydroxy-; 5-Hydroxy-3-indoleacetic acid; 5-Hydroxyindolylacetic acid; 1H-Indole-3-acetic acid, 5-hydroxy-; 5-Hydroxy-IAA; 5-HIAA; Hydroxyindoleacetic acid; 5-Oxyindoleacetic acid; 5-Hydroxy-1H-indole-3-acetic acid
Molecular Formula: C10H9NO3
Natural Isotopic Abundance Mass: 191.18336
Mono-Isotopic Molecular Masses:
InChI string: InChI=1S/C10H9NO3/c12-7-1-2-9-8(4-7)6(5-11-9)3-10(13)14/h1-2,4-5,11-12H,3H2,(H,13,14)
PubChem Compound (CID): 1826Reference 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, https://www.nature.com/articles/sdata201773)