Dataset

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

This MassBank record with Accession MSBNK-BS-BS003731 contains the MS2 mass spectrum of 3,7,4'-Trihydroxyflavone (5-Deoxykampferol) with the InChIkey OBWHQJYOOCRPST-UHFFFAOYSA-N.

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

3,7,4'-Trihydroxyflavone (5-Deoxykampferol)HTML
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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-BS003731
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T12:35:05.774246
MetadataModified	2024-01-11T12:35:05.938161
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
ZINC000006093351	ZINC
26657	BindingDB
LMPK12111552	LipidMaps
DTXSID90174249	EPA CompTox Dashboard
HY-111806	MedChemExpress
23228	Brenda
CB4146687	ChemicalBook
HMDB0034004	Human Metabolome Database
172821	Brenda
110173	Brenda
C10037	KEGG Ligand
CHEMBL242383	ChEMBL
4368682	eMolecules
The data in this table is sourced from UniChem at EBI.