Dataset
![molecular Image]()
Uromaline, DL-mandelate, DL-alpha-Hydroxyphenylacetic acid, Paramandelic acid, DL-mandelic acid, DL-alpha-Hydroxybenzeneacetic acid, Phenylglycollic acid, Almond acid, Amygdalinic acid, DL-alpha-Oxybenzeneacetic acid, alpha-Hydroxy-alpha-toluic acid
Chemical Info
| InChI | InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11) |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C(=O)O)O |
| InChI Key | IWYDHOAUDWTVEP-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |
| Exact Mass | 152.149 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-PS103603 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T21:07:14.975476 |
| MetadataModified | 2024-01-11T21:07:15.169267 |
| MetadataPublished | 2009-02-09 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 92715 | BindingDB |
| MANDELIC ACID | rxnorm |
| MANDELIC ACID | clinicaltrials |
| HY-W015591 | MedChemExpress |
| 1629 | DrugCentral |
| J2.433.033H | Nikkaji |
| J2.433.034F | Nikkaji |
| DTXSID6023234 | EPA CompTox Dashboard |
| NH496X0UJX | FDA SRS |
| 170238 | Brenda |
| DB13218 | DrugBank |
| CB0287470 | ChemicalBook |
| CB3287471 | ChemicalBook |
| 106270 | Brenda |
| 2970 | Brenda |
| 25609 | Brenda |
| 49492 | Brenda |
| 9909 | Brenda |
| 49558 | Brenda |
| 5573 | Brenda |
| 102726 | Brenda |
| 37085 | Brenda |
| MTBLC35825 | Metabolights |
| 10005707 | NMRShiftDB |
| 35825 | ChEBI |
| 1292 | PubChem |
| FEGHAA | CCDC |
| J3.918G | Nikkaji |
| MCULE-3206518139 | Mcule |
| SCHEMBL1050 | SureChEMBL |
| PD013735 | ProbesDrugs |
| 15194756 | PubChem: Thomson Pharma |
| 15769-78-5 | ACToR |
| 244621 | Brenda |
| 17199-29-0 | ACToR |
| 611-71-2 | ACToR |
| 90-64-2 | ACToR |
| 525524 | eMolecules |
| CHEMBL1609 | ChEMBL |
| The data in this table is sourced from UniChem at EBI. | |