Dataset
![molecular Image]()
Pyrocatechol
Chemical Info
| InChI | InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H |
|---|---|
| SMILES | OC1=CC=CC=C1O |
| InChI Key | YCIMNLLNPGFGHC-UHFFFAOYSA-N |
| Molecular Formula | C6H6O2 |
| Exact Mass | 110.037 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | |
| License URL | https://creativecommons.org/licenses/by/4.0 |
| Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BGC_Munich-RP012002 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T12:30:51.374389 |
| MetadataModified | 2025-02-08T21:14:50.219710 |
| MetadataPublished | 2017-10-22 |
| Related Molecule |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| CHEMBL280998 | ChEMBL |
| C00090 | KEGG Ligand |
| 18135 | ChEBI |
| DB02232 | DrugBank |
| CAQ | PDBe |
| C15571 | KEGG Ligand |
| 26188 | BindingDB |
| CATCOL | CCDC |
| DTXSID3020257 | EPA CompTox Dashboard |
| 43881 | Brenda |
| 98461 | Brenda |
| 18244 | Brenda |
| J2.921A | Nikkaji |
| ZINC000013512214 | ZINC |
| CB7300091 | ChemicalBook |
| 18135 | Rhea |
| HMDB0000957 | Human Metabolome Database |
| 156 | Brenda |
| 46175 | Brenda |
| 13716 | Brenda |
| 47719 | Brenda |
| 4047 | Brenda |
| 10458 | Brenda |
| 107969 | Brenda |
| MTBLC18135 | Metabolights |
| 94520 | Brenda |
| MCULE-9007211544 | Mcule |
| SCHEMBL18351 | SureChEMBL |
| 10015977 | NMRShiftDB |
| 289 | PubChem |
| PD002773 | ProbesDrugs |
| 9233 | Brenda |
| 15297046 | PubChem: Thomson Pharma |
| 12385-08-9 | ACToR |
| 120-80-9 | ACToR |
| LF3AJ089DQ | FDA SRS |
| 480934 | eMolecules |
| The data in this table is sourced from UniChem at EBI. | |