Dataset

Myricetin-3-O-xyloside

This MassBank record with Accession MSBNK-RIKEN-PR303131 contains the MS2 mass spectrum of Myricetin-3-O-xyloside with the InChIkey SBEOEJNITMVWLK-CFSKSFDZSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C20H18O12/c21-7-3-8(22)13-12(4-7)31-18(6-1-9(23)14(26)10(24)2-6)19(16(13)28)32-20-17(29)15(27)11(25)5-30-20/h1-4,11,15,17,20-27,29H,5H2/t11-,15+,17-,20+/m1/s1
SMILES O[C@@H]1CO[C@@H](OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@H]1O
InChI Key SBEOEJNITMVWLK-CFSKSFDZSA-N
Molecular Formula C20H18O12
Exact Mass 450.352 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-RIKEN-PR303131
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:43:36.092310
MetadataModified 2024-01-11T20:43:36.268365
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
J789.603D Nikkaji
173763 Brenda
MTBLC69458 Metabolights
ZINC000031158230 ZINC
LMPK12112435 LipidMaps
60026678 NMRShiftDB
69458 ChEBI
23900088 PubChem
SCHEMBL181107 SureChEMBL
The data in this table is sourced from UniChem at EBI.