Dataset
![molecular Image]()
Butylparaben
Chemical Info
| InChI | InChI=1S/C11H14O3/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9/h4-7,12H,2-3,8H2,1H3 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=C(O)C=C1 |
| InChI Key | QFOHBWFCKVYLES-UHFFFAOYSA-N |
| Molecular Formula | C11H14O3 |
| Exact Mass | 194.094 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-UFZ-UF423401 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T21:49:16.764700 |
| MetadataModified | 2025-02-09T19:48:44.681122 |
| MetadataPublished | 2017-01-05 |
| Related Molecule |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| CHEMBL459008 | ChEMBL |
| 23448 | BindingDB |
| BUTYLPARABEN | rxnorm |
| UDOMIL | CCDC |
| J2.842H | Nikkaji |
| ZINC000001586769 | ZINC |
| DTXSID3020209 | EPA CompTox Dashboard |
| 88542 | ChEBI |
| HY-B1431 | MedChemExpress |
| HMDB0032575 | Human Metabolome Database |
| 198506 | Brenda |
| CB5466788 | ChemicalBook |
| 54720 | Brenda |
| DB14084 | DrugBank |
| 9994 | Brenda |
| 20097173 | NMRShiftDB |
| 27K | PDBe |
| MCULE-3352613586 | Mcule |
| 7184 | PubChem |
| 14772986 | PubChem: Thomson Pharma |
| PD000233 | ProbesDrugs |
| 3QPI1U3FV8 | FDA SRS |
| LSM-2161 | LINCS |
| SCHEMBL3647 | SureChEMBL |
| 94-26-8 | ACToR |
| 8068-49-3 | ACToR |
| 519686 | eMolecules |
| The data in this table is sourced from UniChem at EBI. | |