Dataset
![molecular Image]()
Aflatoxin B2
Chemical Info
| InChI | InChI=1S/C17H14O6/c1-20-10-6-11-14(8-4-5-21-17(8)22-11)15-13(10)7-2-3-9(18)12(7)16(19)23-15/h6,8,17H,2-5H2,1H3/t8-,17+/m0/s1 |
|---|---|
| SMILES | COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4[C@@H]5CCO[C@@H]5OC4=C1 |
| InChI Key | WWSYXEZEXMQWHT-WNWIJWBNSA-N |
| Molecular Formula | C17H14O6 |
| Exact Mass | 314.079 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-AC000026 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T08:44:03.597873 |
| MetadataModified | 2024-01-11T09:22:07.858733 |
| MetadataPublished | 2017-07-07 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 48209 | Rhea |
| 29709 | Brenda |
| MTBLC48209 | Metabolights |
| CB0236746 | ChemicalBook |
| 70004184 | NMRShiftDB |
| 16892239 | PubChem: Thomson Pharma |
| 48209 | ChEBI |
| 16690201 | PubChem: Thomson Pharma |
| PD133555 | ProbesDrugs |
| 2724360 | PubChem |
| 29371357 | eMolecules |
| 476040 | eMolecules |
| 7SKR7S646P | FDA SRS |
| SCHEMBL14424508 | SureChEMBL |
| C16753 | KEGG Ligand |
| DTXSID70222535 | EPA CompTox Dashboard |
| DIHATO | CCDC |
| J37.504G | Nikkaji |
| ZINC000000402720 | ZINC |
| The data in this table is sourced from UniChem at EBI. | |