Dataset
Umbelliferone
Chemical Info
InChI | InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H |
---|---|
SMILES | C1(=C(C(=C(C2=C1C(=C(C(=O)O2)[H])[H])[H])O[H])[H])[H] |
InChI Key | ORHBXUUXSCNDEV-UHFFFAOYSA-N |
Molecular Formula | C9H6O3 |
Exact Mass | 162.032 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | |
License URL | https://creativecommons.org/licenses/by-nc-sa/4.0 |
Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003400 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T12:35:33.320393 |
MetadataModified | 2024-01-11T12:35:33.492382 |
MetadataPublished | 2017-12-01 |
Field | Value |
---|---|
Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
50174558 | BindingDB |
ZINC000000058111 | ZINC |
DTXSID5052626 | EPA CompTox Dashboard |
HY-N0573 | MedChemExpress |
4113 | Brenda |
27510 | Rhea |
HMDB0029865 | Human Metabolome Database |
167421 | Brenda |
2505 | Brenda |
93645 | Brenda |
CB1854673 | ChemicalBook |
MTBLC27510 | Metabolights |
5281426 | PubChem |
PD002087 | ProbesDrugs |
60Z60NTL4G | FDA SRS |
07L | PDBe |
15321753 | PubChem: Thomson Pharma |
hcoumarin | Recon |
93-35-6 | ACToR |
LSM-3960 | LINCS |
DETFOX | CCDC |
MCULE-5007617058 | Mcule |
10016208 | NMRShiftDB |
SCHEMBL22018 | SureChEMBL |
J4.673F | Nikkaji |
C09315 | KEGG Ligand |
87550949 | PubChem: Drugs of the Future |
CHEMBL51628 | ChEMBL |
27510 | ChEBI |
533086 | eMolecules |
The data in this table is sourced from UniChem at EBI. |