Dataset

3,7,4'-Trihydroxyflavone (5-Deoxykampferol)

This MassBank record with Accession MSBNK-BS-BS003730 contains the MS2 mass spectrum of 3,7,4'-Trihydroxyflavone (5-Deoxykampferol) with the InChIkey OBWHQJYOOCRPST-UHFFFAOYSA-N.

Chemical Info

molecular Image
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
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
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.