Dataset
3,7,4'-Trihydroxyflavone (5-Deoxykampferol)
Chemical Info
InChI | InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)15-14(19)13(18)11-6-5-10(17)7-12(11)20-15/h1-7,16-17,19H |
---|---|
SMILES | C1(=C(C(=C(C(=C1C2=C(C(=O)C3=C(O2)C(=C(C(=C3[H])[H])O[H])[H])O[H])[H])[H])O[H])[H])[H] |
InChI Key | OBWHQJYOOCRPST-UHFFFAOYSA-N |
Molecular Formula | C15H10O5 |
Exact Mass | 270.053 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | |
License URL | https://creativecommons.org/licenses/by-nc-sa/4.0 |
Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003730 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T12:33:34.130702 |
MetadataModified | 2024-01-11T12:33:34.286782 |
MetadataPublished | 2017-12-01 |
Field | Value |
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Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
5281611 | PubChem |
60022442 | NMRShiftDB |
PD117619 | ProbesDrugs |
127404 | Brenda |
14750505 | PubChem: Thomson Pharma |
2034-65-3 | ACToR |
SCHEMBL344710 | SureChEMBL |
196244 | ChEBI |
J884B | Nikkaji |
MCULE-6811611432 | Mcule |
DTXSID90174249 | EPA CompTox Dashboard |
LMPK12111552 | LipidMaps |
HY-111806 | MedChemExpress |
26657 | BindingDB |
ZINC000006093351 | ZINC |
CB4146687 | ChemicalBook |
HMDB0034004 | Human Metabolome Database |
110173 | Brenda |
172821 | Brenda |
23228 | Brenda |
C10037 | KEGG Ligand |
CHEMBL242383 | ChEMBL |
4368682 | eMolecules |
The data in this table is sourced from UniChem at EBI. |