Dataset

Myricetin

This MassBank record with Accession MSBNK-Fiocruz-FIO00189 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	Oc(c3)cc(O1)c(c(O)3)C(=O)C(O)=C1c(c2)cc(O)c(O)c(O)2
InChI Key	IKMDFBPHZNJCSN-UHFFFAOYSA-N
Molecular Formula	C15H10O8
Exact Mass	318.038 g/mol

Data and Resources

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00189
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T16:36:01.941837
MetadataModified	2024-01-11T16:36:02.130136
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
91846	Brenda
484	Brenda
27098	Brenda
HMDB0002755	Human Metabolome Database
84023	Brenda
CB5142262	ChemicalBook
MTBLC18152	Metabolights
156715	Brenda
211677	Brenda
Myricetin(Cannabiscetin)	Selleck
529-44-2	ACToR
LSM-2957	LINCS
136874	Brenda
PD002690	ProbesDrugs
60015823	NMRShiftDB
5281672	PubChem
76XC01FTOJ	FDA SRS
14874593	PubChem: Thomson Pharma
SCHEMBL19302	SureChEMBL
529338	eMolecules
15236	BindingDB
DTXSID8022400	EPA CompTox Dashboard
MCULE-6299186219	Mcule
LMPK12110001	LipidMaps
MYRICETIN	rxnorm
HY-15097	MedChemExpress
J1.585G	Nikkaji
243649	Brenda
NIKLAX	CCDC
ZINC000003874317	ZINC
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.