Dataset

Myricetin

This MassBank record with Accession MSBNK-BS-BS003379 contains the MS2 mass spectrum of Myricetin with the InChIkey IKMDFBPHZNJCSN-UHFFFAOYSA-N.

Chemical Info

molecular Image
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 C1(=C(C(=C(C(=C1O[H])O[H])O[H])[H])C2=C(C(=O)C3=C(C(=C(C(=C3O2)[H])O[H])[H])O[H])O[H])[H]
InChI Key IKMDFBPHZNJCSN-UHFFFAOYSA-N
Molecular Formula C15H10O8
Exact Mass 318.038 g/mol

Data and Resources

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-BS003379
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:36:05.196816
MetadataModified 2024-01-11T12:36:05.411849
MetadataPublished 2017-12-01
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.