Dataset
Psoralen
Chemical Info
InChI | InChI=1S/C11H6O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6H |
---|---|
SMILES | C1=CC(=O)OC2=CC3=C(C=CO3)C=C21 |
InChI Key | ZCCUUQDIBDJBTK-UHFFFAOYSA-N |
Molecular Formula | C11H6O3 |
Exact Mass | 186.032 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-Washington_State_Univ-BML00644 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T22:27:16.128582 |
MetadataModified | 2024-01-11T22:27:16.285857 |
MetadataPublished | 2016-01-19 |
Field | Value |
---|---|
Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
C09305 | KEGG Ligand |
CHEMBL164660 | ChEMBL |
7604 | Brenda |
531186 | eMolecules |
MTBLC27616 | Metabolights |
HMDB0034272 | Human Metabolome Database |
CB3181900 | ChemicalBook |
27616 | Rhea |
ZINC000000120283 | ZINC |
50331544 | BindingDB |
FICUSIN | rxnorm |
DTXSID00216205 | EPA CompTox Dashboard |
HY-N0053 | MedChemExpress |
246262 | Brenda |
MCULE-2236160968 | Mcule |
PSORALEN | clinicaltrials |
6199 | PubChem |
PD012057 | ProbesDrugs |
KTZ7ZCN2EX | FDA SRS |
15219767 | PubChem: Thomson Pharma |
SCHEMBL17835 | SureChEMBL |
66-97-7 | ACToR |
DB18665 | DrugBank |
FURCOU | CCDC |
J2.363I | Nikkaji |
27616 | ChEBI |
10017714 | NMRShiftDB |
The data in this table is sourced from UniChem at EBI. |