Dataset
Formononetin
Chemical Info
InChI | InChI=1S/C16H12O4/c1-19-12-5-2-10(3-6-12)14-9-20-15-8-11(17)4-7-13(15)16(14)18/h2-9,17H,1H3 |
---|---|
SMILES | C(OC1=C(C(=C(C(=C1[H])[H])C2=C(OC3=C(C2=O)C(=C(C(=C3[H])O[H])[H])[H])[H])[H])[H])([H])([H])[H] |
InChI Key | HKQYGTCOTHHOMP-UHFFFAOYSA-N |
Molecular Formula | C16H12O4 |
Exact Mass | 268.074 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-BS003358 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T12:34:08.226548 |
MetadataModified | 2024-01-11T12:34:08.402965 |
MetadataPublished | 2017-12-01 |
Field | Value |
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Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
C00858 | KEGG Ligand |
CHEMBL242341 | ChEMBL |
18088 | ChEBI |
49684258 | PubChem: Drugs of the Future |
FORMONONETIN | clinicaltrials |
HY-N0183 | MedChemExpress |
2655 | Brenda |
240561 | Brenda |
50021398 | BindingDB |
LMPK12050037 | LipidMaps |
J12.525C | Nikkaji |
KOVWIB | CCDC |
DTXSID4022311 | EPA CompTox Dashboard |
MCULE-4171151967 | Mcule |
SCHEMBL62915 | SureChEMBL |
513312 | eMolecules |
HMDB0005808 | Human Metabolome Database |
CB0331896 | ChemicalBook |
DB15335 | DrugBank |
ZINC000018847036 | ZINC |
MTBLC18088 | Metabolights |
96508 | Brenda |
164091 | Brenda |
195605 | Brenda |
LSM-19000 | LINCS |
485-72-3 | ACToR |
5280378 | PubChem |
Formononetin(Formononetol) | Selleck |
14872571 | PubChem: Thomson Pharma |
295DQC67BJ | FDA SRS |
PD002254 | ProbesDrugs |
60015797 | NMRShiftDB |
The data in this table is sourced from UniChem at EBI. |