Dataset
3-Hydroxyflavone
Chemical Info
InChI | InChI=1S/C15H10O3/c16-13-11-8-4-5-9-12(11)18-15(14(13)17)10-6-2-1-3-7-10/h1-9,17H |
---|---|
SMILES | C1(=C(C(=C(C(=C1[H])[H])C2=C(C(=O)C3=C(C(=C(C(=C3O2)[H])[H])[H])[H])O[H])[H])[H])[H] |
InChI Key | HVQAJTFOCKOKIN-UHFFFAOYSA-N |
Molecular Formula | C15H10O3 |
Exact Mass | 238.063 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-BS003022 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T12:35:29.871889 |
MetadataModified | 2024-01-11T12:35:30.016127 |
MetadataPublished | 2017-12-01 |
Field | Value |
---|---|
Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
50187668 | BindingDB |
HY-107825 | MedChemExpress |
233439 | Brenda |
DTXSID4060365 | EPA CompTox Dashboard |
ZINC000000057675 | ZINC |
51648 | Brenda |
4291 | Brenda |
CB4414838 | ChemicalBook |
HMDB0031816 | Human Metabolome Database |
60024065 | NMRShiftDB |
PD001504 | ProbesDrugs |
11349 | PubChem |
15069119 | PubChem: Thomson Pharma |
577-85-5 | ACToR |
ZTG9LSS5QH | FDA SRS |
MCULE-8535739842 | Mcule |
J1.628D | Nikkaji |
DUMFAS | CCDC |
SCHEMBL20246 | SureChEMBL |
C01495 | KEGG Ligand |
5078 | ChEBI |
CHEMBL294009 | ChEMBL |
539159 | eMolecules |
The data in this table is sourced from UniChem at EBI. |