Dataset

3-Hydroxyflavone

This MassBank record with Accession MSBNK-BS-BS003025 contains the MS2 mass spectrum of 3-Hydroxyflavone with the InChIkey HVQAJTFOCKOKIN-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C15H10O3/c16-13-11-8-4-5-9-12(11)18-15(14(13)17)10-6-2-1-3-7-10/h1-9,17H
SMILES	C1(=C(C(=C(C(=C1[H])[H])C2=C(C(=O)C3=C(C(=C(C(=C3O2)[H])[H])[H])[H])O[H])[H])[H])[H]
InChI Key	HVQAJTFOCKOKIN-UHFFFAOYSA-N
Molecular Formula	C15H10O3
Exact Mass	238.063 g/mol

Data and Resources

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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-BS003025
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T12:35:30.196095
MetadataModified	2024-01-11T12:35:30.343999
MetadataPublished	2017-12-01

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
50187668	BindingDB
HY-107825	MedChemExpress
233439	Brenda
DTXSID4060365	EPA CompTox Dashboard
ZINC000000057675	ZINC
51648	Brenda
4291	Brenda
CB4414838	ChemicalBook
HMDB0031816	Human Metabolome Database
60024065	NMRShiftDB
PD001504	ProbesDrugs
11349	PubChem
15069119	PubChem: Thomson Pharma
577-85-5	ACToR
ZTG9LSS5QH	FDA SRS
MCULE-8535739842	Mcule
J1.628D	Nikkaji
DUMFAS	CCDC
SCHEMBL20246	SureChEMBL
C01495	KEGG Ligand
5078	ChEBI
CHEMBL294009	ChEMBL
539159	eMolecules
The data in this table is sourced from UniChem at EBI.