Dataset
Brefeldin-A
Chemical Info
InChI | InChI=1S/C16H24O4/c1-11-5-3-2-4-6-12-9-13(17)10-14(12)15(18)7-8-16(19)20-11/h4,6-8,11-15,17-18H,2-3,5,9-10H2,1H3/b6-4+,8-7+/t11-,12+,13-,14+,15+/m0/s1 |
---|---|
SMILES | C[C@@H](C2)OC(=O)C=C[C@@H](O)[C@]([H])(C1)[C@]([H])(C=CCC2)C[C@H](O)1 |
InChI Key | KQNZDYYTLMIZCT-KQPMLPITSA-N |
Molecular Formula | C16H24O4 |
Exact Mass | 280.167 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-Fiocruz-FIO00531 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T16:35:57.139515 |
MetadataModified | 2024-01-11T16:35:57.314725 |
MetadataPublished | 2016-01-19 |
Field | Value |
---|---|
Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
DB07348 | DrugBank |
CHEMBL19980 | ChEMBL |
48080 | ChEBI |
AFB | PDBe |
97307 | BindingDB |
HY-16592 | MedChemExpress |
BREFEL | CCDC |
138818 | Brenda |
ZINC000012371944 | ZINC |
DTXSID00880041 | EPA CompTox Dashboard |
5284 | Brenda |
MTBLC48080 | Metabolights |
151027 | Brenda |
14775297 | PubChem: Thomson Pharma |
60059372 | NMRShiftDB |
PD005321 | ProbesDrugs |
XG0D35F9K6 | FDA SRS |
14775298 | PubChem: Thomson Pharma |
5287620 | PubChem |
SCHEMBL29267 | SureChEMBL |
484078 | eMolecules |
The data in this table is sourced from UniChem at EBI. |