| SpectraBase Spectrum ID |
6z1XsxkuDJO |
| Name |
Indole-3-Acetic Acid |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
2338-19-4
54692-39-6
6305-45-9
87-51-4 |
| ChEBI ID |
16411 |
| Comments |
saturated N/A Indole-3-Acetic Acid - vendor: MP Biomedicals 102037; Solvent: D2O; Buffers, etc: 50 mM Sodium Phosphate, 500 uM NaAzide; Temperature=298 K, pH=7.4; NMR Reference: 500 uM DSS; Bruker DMX 400MHz
(Data collected by Madison Metabolomics Consortium) |
| Copyright |
Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Data Source |
Madison Metabolomics Consortium |
| Formula |
C10H9NO2 |
| IUPAC Name |
2-(1H-indol-3-yl)ethanoic acid; 2-(1H-indol-3-yl)acetic acid |
| InChI |
InChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13) |
| InChIKey |
SEOVTRFCIGRIMH-UHFFFAOYSA-N |
| KEGG Compound ID |
C00954 |
| KEGG Pathways |
PATH: map00380 Tryptophan metabolism |
| PubChem Compound ID |
802 |
| SMILES |
C1=CC=C2C(=C1)C(=CN2)CC(=O)O |
| Source File Reference |
bmse000177 |
