Dataset
Artemisinin
Chemical Info
InChI | InChI=1S/C15H22O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-11,13H,4-7H2,1-3H3/t8-,9-,10+,11+,13-,14-,15-/m1/s1 |
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SMILES | O=C(O1)[C@H](C)[C@]([H])(C4)[C@](O2)([C@@]([H])3[C@H](C)C4)[C@]([H])1O[C@@](C)(CC3)O2 |
InChI Key | BLUAFEHZUWYNDE-NNWCWBAJSA-N |
Molecular Formula | C15H22O5 |
Exact Mass | 282.147 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | |
License URL | https://creativecommons.org/licenses/by-nc/4.0 |
Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00418 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T16:37:23.477092 |
MetadataModified | 2024-01-11T16:37:23.668417 |
MetadataPublished | 2016-01-19 |
Field | Value |
---|---|
Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
LSM-6546 | LINCS |
9RMU91N5K2 | FDA SRS |
PD012296 | ProbesDrugs |
Artemisinin | Selleck |
14873071 | PubChem: Thomson Pharma |
9954 | Guide to Pharmacology |
50088447 | BindingDB |
MTBLC223316 | Metabolights |
DB13132 | DrugBank |
68827 | PubChem |
169885 | Brenda |
PA165111696 | PharmGKB |
MCULE-9877817795 | Mcule |
SCHEMBL60304 | SureChEMBL |
500899 | eMolecules |
12642552 | eMolecules |
C09538 | KEGG Ligand |
12013016 | PubChem: Drugs of the Future |
223316 | ChEBI |
CHEMBL269671 | ChEMBL |
ZINC000008143788 | ZINC |
229174 | Brenda |
229175 | Brenda |
HY-B0094 | MedChemExpress |
20253147 | NMRShiftDB |
QNGHSU | CCDC |
3871 | DrugCentral |
LMPR0103190003 | LipidMaps |
J86.051D | Nikkaji |
DTXSID2040652 | EPA CompTox Dashboard |
The data in this table is sourced from UniChem at EBI. |