Dataset
Coumarin
Chemical Info
InChI | InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H |
---|---|
SMILES | O=C(C=1)Oc(c2)c(ccc2)C1 |
InChI Key | ZYGHJZDHTFUPRJ-UHFFFAOYSA-N |
Molecular Formula | C9H6O2 |
Exact Mass | 146.037 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-FIO00037 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T16:36:57.043719 |
MetadataModified | 2024-01-11T16:36:57.233822 |
MetadataPublished | 2016-01-19 |
Field | Value |
---|---|
Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
DB04665 | DrugBank |
COU | PDBe |
CHEMBL6466 | ChEMBL |
28794 | ChEBI |
C05851 | KEGG Ligand |
12342 | BindingDB |
COUMARIN | DailyMed |
COUMARIN | rxnorm |
COUMARIN | clinicaltrials |
HY-N0709 | MedChemExpress |
DTXSID7020348 | EPA CompTox Dashboard |
COUMAR | CCDC |
ZINC000000074709 | ZINC |
SCHEMBL6252 | SureChEMBL |
J3.218B | Nikkaji |
250629 | Brenda |
738 | DrugCentral |
coumarin | DailyMed |
CB3112168 | ChemicalBook |
HMDB0001218 | Human Metabolome Database |
2835 | Brenda |
51215 | Brenda |
6345 | Brenda |
MTBLC28794 | Metabolights |
LSM-2519 | LINCS |
15321560 | PubChem: Thomson Pharma |
coumarin | Selleck |
91-64-5 | ACToR |
coumarin | Recon |
A4VZ22K1WT | FDA SRS |
coumarin | Atlas |
PD002499 | ProbesDrugs |
323 | PubChem |
MCULE-5433669098 | Mcule |
10008786 | NMRShiftDB |
494397 | eMolecules |
The data in this table is sourced from UniChem at EBI. |