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
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
J1.585G Nikkaji
SCHEMBL19302 SureChEMBL
NIKLAX CCDC
15236 BindingDB
MYRICETIN rxnorm
HY-15097 MedChemExpress
ZINC000003874317 ZINC
MCULE-6299186219 Mcule
DTXSID8022400 EPA CompTox Dashboard
LMPK12110001 LipidMaps
243649 Brenda
84023 Brenda
156715 Brenda
211677 Brenda
91846 Brenda
484 Brenda
CB5142262 ChemicalBook
27098 Brenda
HMDB0002755 Human Metabolome Database
MTBLC18152 Metabolights
DB02375 DrugBank
12015490 PubChem: Drugs of the Future
CHEMBL164 ChEMBL
MYC PDBe
18152 ChEBI
C10107 KEGG Ligand
529338 eMolecules
The data in this table is sourced from UniChem at EBI.