Dataset
![molecular Image]()
Hippuric Acid, Benzoylaminoacetic acid, Hippurate, N-Benzoylglycine, Benzamidoacetic acid, Phenylcarbonylaminoacetic acid
Chemical Info
| InChI | InChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12) |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NCC(=O)O |
| InChI Key | QIAFMBKCNZACKA-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO3 |
| Exact Mass | 179.175 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | |
| License URL | https://creativecommons.org/licenses/by-nc/4.0 |
| Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PS095302 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T21:37:18.212529 |
| MetadataModified | 2025-02-09T19:06:13.837700 |
| MetadataPublished | 2009-02-09 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| HIPPURIC ACID | rxnorm |
| HY-W016562 | MedChemExpress |
| 244412 | Brenda |
| 50009999 | BindingDB |
| J1.562H | Nikkaji |
| HIPPAC | CCDC |
| DTXSID9046073 | EPA CompTox Dashboard |
| 18089 | ChEBI |
| CHEMBL461 | ChEMBL |
| C01586 | KEGG Ligand |
| MCULE-2214602350 | Mcule |
| 10008879 | NMRShiftDB |
| SCHEMBL7486 | SureChEMBL |
| 44567 | Brenda |
| 6000 | Brenda |
| 15646 | Brenda |
| 1204 | Brenda |
| 2828 | Brenda |
| 3208 | Brenda |
| 11903 | Brenda |
| 141336 | Brenda |
| HMDB0000714 | Human Metabolome Database |
| GZB | PDBe |
| CB0483177 | ChemicalBook |
| ZINC000006344064 | ZINC |
| MTBLC18089 | Metabolights |
| 478735 | eMolecules |
| 464 | PubChem |
| PD014558 | ProbesDrugs |
| DB16842 | DrugBank |
| 15291682 | PubChem: Thomson Pharma |
| 140480-84-8 | ACToR |
| 495-69-2 | ACToR |
| TE0865N2ET | FDA SRS |
| The data in this table is sourced from UniChem at EBI. | |