Dataset

Syringetin-3-O-glucoside

This MassBank record with Accession MSBNK-RIKEN-PR302203 contains the MS2 mass spectrum of Syringetin-3-O-glucoside with the InChIkey JMFWYRWPJVEZPV-AVGVHVDKSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C23H24O13/c1-32-12-3-8(4-13(33-2)16(12)27)21-22(18(29)15-10(26)5-9(25)6-11(15)34-21)36-23-20(31)19(30)17(28)14(7-24)35-23/h3-6,14,17,19-20,23-28,30-31H,7H2,1-2H3/t14-,17-,19+,20-,23+/m1/s1
SMILES COC1=CC(=CC(OC)=C1O)C1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)C2=C(O)C=C(O)C=C2O1
InChI Key JMFWYRWPJVEZPV-AVGVHVDKSA-N
Molecular Formula C23H24O13
Exact Mass 508.432 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-PR302203
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:43:54.877260
MetadataModified 2024-01-11T20:43:55.036087
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
ZINC000004349710 ZINC
J1.995.969D Nikkaji
5321577 PubChem
192639 ChEBI
70019204 NMRShiftDB
LMPK12112488 LipidMaps
SCHEMBL4650080 SureChEMBL
85262752 PubChem: Thomson Pharma
CHEMBL1600723 ChEMBL
The data in this table is sourced from UniChem at EBI.