Dataset

Myricetin

This MassBank record with Accession MSBNK-RIKEN-PR302042 contains the MS2 mass spectrum of Myricetin with the InChIkey IKMDFBPHZNJCSN-UHFFFAOYSA-N.

InChI	InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H
SMILES	OC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC(O)=C(O)C(O)=C2)=C1
InChI Key	IKMDFBPHZNJCSN-UHFFFAOYSA-N
Molecular Formula	C15H10O8
Exact Mass	318.237 g/mol

Data and Resources

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR302042
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T20:42:16.576930
MetadataModified	2024-01-11T20:42:16.736291
MetadataPublished	2019-03-28

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
5281672	PubChem
60015823	NMRShiftDB
PD002690	ProbesDrugs
136874	Brenda
14874593	PubChem: Thomson Pharma
LSM-2957	LINCS
529-44-2	ACToR
Myricetin(Cannabiscetin)	Selleck
76XC01FTOJ	FDA SRS
529338	eMolecules
156715	Brenda
84023	Brenda
91846	Brenda
484	Brenda
HMDB0002755	Human Metabolome Database
27098	Brenda
211677	Brenda
CB5142262	ChemicalBook
ZINC000003874317	ZINC
MTBLC18152	Metabolights
SCHEMBL19302	SureChEMBL
HY-15097	MedChemExpress
243649	Brenda
MCULE-6299186219	Mcule
DTXSID8022400	EPA CompTox Dashboard
LMPK12110001	LipidMaps
J1.585G	Nikkaji
NIKLAX	CCDC
15236	BindingDB
MYRICETIN	rxnorm
DB02375	DrugBank
12015490	PubChem: Drugs of the Future
CHEMBL164	ChEMBL
MYC	PDBe
18152	ChEBI
C10107	KEGG Ligand
The data in this table is sourced from UniChem at EBI.