Dataset
![molecular Image]()
Adrenalone
Chemical Info
| InChI | InChI=1S/C9H11NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,10-12H,5H2,1H3 |
|---|---|
| SMILES | CNCC(=O)c(c1)cc(O)c(O)c1 |
| InChI Key | PZMVOUYYNKPMSI-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO3 |
| Exact Mass | 181.074 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-Waters-WA001858 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T22:49:58.275080 |
| MetadataModified | 2024-01-11T22:49:58.432276 |
| MetadataPublished | 2016-01-19 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 7436 | PubChem |
| MolPort-001-785-703 | MolPort |
| 134821 | ChEBI |
| ZINC000034781660 | ZINC |
| J4.970K | Nikkaji |
| ADRENALONE | rxnorm |
| MCULE-5219258762 | Mcule |
| 94970 | BindingDB |
| 96 | DrugCentral |
| CB1388796 | ChemicalBook |
| DTXSID5048710 | EPA CompTox Dashboard |
| 20207976 | NMRShiftDB |
| DB13394 | DrugBank |
| SCHEMBL123124 | SureChEMBL |
| 15437950 | PubChem: Thomson Pharma |
| 99-45-6 | ACToR |
| PD013683 | ProbesDrugs |
| 221017 | Brenda |
| EGU41QL329 | FDA SRS |
| CHEMBL2103996 | ChEMBL |
| 741340 | eMolecules |
| The data in this table is sourced from UniChem at EBI. | |