Dataset

Tectochrysin (5-hydroxy-7-methoxyflavone)

This MassBank record with Accession MSBNK-BS-BS003548 contains the MS2 mass spectrum of Tectochrysin (5-hydroxy-7-methoxyflavone) with the InChIkey IRZVHDLBAYNPCT-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C16H12O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-9,17H,1H3
SMILES	C(OC1=C(C(=C2C(=C1[H])OC(=C(C2=O)[H])C3=C(C(=C(C(=C3[H])[H])[H])[H])[H])O[H])[H])([H])([H])[H]
InChI Key	IRZVHDLBAYNPCT-UHFFFAOYSA-N
Molecular Formula	C16H12O4
Exact Mass	268.074 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-BS003548
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T12:33:48.348920
MetadataModified	2024-01-11T12:33:48.525595
MetadataPublished	2017-12-01

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEMBL164841	ChEMBL
DTXSID40199962	EPA CompTox Dashboard
9426	ChEBI
HY-14592	MedChemExpress
50423793	BindingDB
LMPK12110190	LipidMaps
J61.252I	Nikkaji
BAZGOB	CCDC
C11621	KEGG Ligand
ZINC000018136415	ZINC
9UBO28W2AK	FDA SRS
CB1726679	ChemicalBook
MTBLC9426	Metabolights
520-28-5	ACToR
60024493	NMRShiftDB
14750433	PubChem: Thomson Pharma
PD087633	ProbesDrugs
SCHEMBL249043	SureChEMBL
5281954	PubChem
MCULE-4700947143	Mcule
1287721	eMolecules
The data in this table is sourced from UniChem at EBI.