Dataset

Tectochrysin (5-hydroxy-7-methoxyflavone)

This MassBank record with Accession MSBNK-BS-BS003549 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-BS003549
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T12:35:59.837718
MetadataModified	2024-01-11T12:35:59.993342
MetadataPublished	2017-12-01

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

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