| SpectraBase Spectrum ID |
2qnEAOmUpjQ |
| Name |
Anthranilic acid |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
118-92-3
14342-65-5
2099-63-0
552-37-4
60613-06-1
7058-55-1
7459-95-2
80206-34-4 |
| ChEBI ID |
30754 |
| Comments |
100 mM anthranilic acid - vendor: Sigma a89855; 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 |
C7H7NO2 |
| IUPAC Name |
2-aminobenzoic acid |
| InChI |
InChI=1S/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10) |
| InChIKey |
RWZYAGGXGHYGMB-UHFFFAOYSA-N |
| KEGG Compound ID |
C00108 |
| KEGG Pathways |
PATH: map00362 Benzoate degradation via hydroxylation
PATH: map00380 Tryptophan metabolism
PATH: map00400 Phenylalanine, tyrosine and tryptophan biosynthesis
PATH: map00629 Carbazole degradation
PATH: map00632 Benzoate degradation via CoA ligation
PATH: map01058 Acridone alkaloid biosynthesis
PATH: map07110 Benzoic acid family |
| PubChem Compound ID |
227 |
| SMILES |
C1=CC=C(C(=C1)C(=O)O)N |
| Source File Reference |
bmse000067 |
