Dataset

7,8-Benzoflavone

This MassBank record with Accession MSBNK-Washington_State_Univ-BML80575 contains the MS mass spectrum of 7,8-Benzoflavone with the InChIkey VFMMPHCGEFXGIP-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C19H12O2/c20-17-12-18(14-7-2-1-3-8-14)21-19-15-9-5-4-6-13(15)10-11-16(17)19/h1-12H
SMILES	C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C4=CC=CC=C4C=C3
InChI Key	VFMMPHCGEFXGIP-UHFFFAOYSA-N
Molecular Formula	C19H12O2
Exact Mass	272.084 g/mol

Data and Resources

7,8-BenzoflavoneHTML
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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-BML80575
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:22:42.818803
MetadataModified	2024-01-11T22:22:42.981299
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
DB07453	DrugBank
BHF	PDBe
CHEMBL283196	ChEMBL
499134	eMolecules
76995	ChEBI
HMDB0247291	Human Metabolome Database
NAPFLV	CCDC
J46.330B	Nikkaji
SCHEMBL121594	SureChEMBL
11790	PubChem
14775024	PubChem: Thomson Pharma
PD005171	ProbesDrugs
70115482	NMRShiftDB
MCULE-2454889877	Mcule
224434	Brenda
50014323	BindingDB
HY-125833	MedChemExpress
231065	Brenda
ZINC000000038933	ZINC
DTXSID2040650	EPA CompTox Dashboard
FML65D8PY5	FDA SRS
19650	Brenda
7136	Brenda
6483	Brenda
CB0184955	ChemicalBook
The data in this table is sourced from UniChem at EBI.