Dataset

3,7,4'-Trihydroxyflavone

This MassBank record with Accession MSBNK-Washington_State_Univ-BML80340 contains the MS mass spectrum of 3,7,4'-Trihydroxyflavone 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=CC(=CC=C1C2=C(C(=O)C3=C(O2)C=C(C=C3)O)O)O
InChI Key	OBWHQJYOOCRPST-UHFFFAOYSA-N
Molecular Formula	C15H10O5
Exact Mass	270.053 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML80340
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:13:03.259690
MetadataModified	2025-02-09T20:03:57.513323
MetadataPublished	2016-01-19

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
4368682	eMolecules
172821	Brenda
23228	Brenda
110173	Brenda
ZINC000006093351	ZINC
HMDB0034004	Human Metabolome Database
MCULE-6811611432	Mcule
HY-111806	MedChemExpress
DTXSID90174249	EPA CompTox Dashboard
26657	BindingDB
J884B	Nikkaji
LMPK12111552	LipidMaps
CB4146687	ChemicalBook
C10037	KEGG Ligand
CHEMBL242383	ChEMBL
The data in this table is sourced from UniChem at EBI.