Dataset

Acacetin

This MassBank record with Accession MSBNK-Washington_State_Univ-BML00818 contains the MS2 mass spectrum of Acacetin with the InChIkey DANYIYRPLHHOCZ-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-8,17-18H,1H3
SMILES	COC1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O
InChI Key	DANYIYRPLHHOCZ-UHFFFAOYSA-N
Molecular Formula	C16H12O5
Exact Mass	284.068 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-BML00818
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:28:21.662471
MetadataModified	2024-01-11T22:28:21.828041
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
474250	eMolecules
56310581	PubChem: Drugs of the Future
CHEMBL243664	ChEMBL
C01470	KEGG Ligand
DAXMFV	CCDC
SCHEMBL107712	SureChEMBL
J6.166B	Nikkaji
5280442	PubChem
60022381	NMRShiftDB
15369193	PubChem: Thomson Pharma
KWI7J0A2CC	FDA SRS
LSM-6662	LINCS
480-44-4	ACToR
PD037100	ProbesDrugs
ZINC000003871358	ZINC
23415	BindingDB
HY-N0451	MedChemExpress
91589	Brenda
MCULE-8773156096	Mcule
DTXSID00197383	EPA CompTox Dashboard
LMPK12110468	LipidMaps
15335	ChEBI
4661	Brenda
MTBLC15335	Metabolights
125030	Brenda
CB9316535	ChemicalBook
14039	Brenda
The data in this table is sourced from UniChem at EBI.