Dataset
![molecular Image]()
Alternariol
Chemical Info
| InChI | InChI=1S/C14H10O5/c1-6-2-7(15)5-11-12(6)9-3-8(16)4-10(17)13(9)14(18)19-11/h2-5,15-17H,1H3 |
|---|---|
| SMILES | CC1=CC(=CC2=C1C3=CC(=CC(=C3C(=O)O2)O)O)O |
| InChI Key | CEBXXEKPIIDJHL-UHFFFAOYSA-N |
| Molecular Formula | C14H10O5 |
| Exact Mass | 258.053 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | |
| License URL | https://creativecommons.org/licenses/by-sa/4.0 |
| Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000061 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T09:23:48.316189 |
| MetadataModified | 2025-02-08T18:38:36.953876 |
| MetadataPublished | 2017-07-07 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 5359485 | PubChem |
| 60059645 | NMRShiftDB |
| PD019701 | ProbesDrugs |
| KN9L4260JW | FDA SRS |
| 641-38-3 | ACToR |
| SCHEMBL1096830 | SureChEMBL |
| 64983 | ChEBI |
| 533815 | eMolecules |
| 143768 | Brenda |
| HMDB0030831 | Human Metabolome Database |
| MTBLC64983 | Metabolights |
| CHEMBL519982 | ChEMBL |
| C16838 | KEGG Ligand |
| MCULE-2577421243 | Mcule |
| HY-N6714 | MedChemExpress |
| 50479267 | BindingDB |
| TUPJOE | CCDC |
| J12.511C | Nikkaji |
| ZINC000000402623 | ZINC |
| DTXSID80214305 | EPA CompTox Dashboard |
| CB3297090 | ChemicalBook |
| 16510430 | PubChem: Thomson Pharma |
| The data in this table is sourced from UniChem at EBI. | |