Dataset

Quercetin-3-O-vicianoside

This MassBank record with Accession MSBNK-RIKEN-PR306033 contains the MS2 mass spectrum of Quercetin-3-O-vicianoside with the InChIkey YNMFDPCLPIMRFD-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C26H28O16/c27-9-4-12(30)16-14(5-9)40-23(8-1-2-10(28)11(29)3-8)24(19(16)34)42-26-22(37)20(35)18(33)15(41-26)7-39-25-21(36)17(32)13(31)6-38-25/h1-5,13,15,17-18,20-22,25-33,35-37H,6-7H2
SMILES OC1COC(OCC2OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C=C3)C(O)C(O)C2O)C(O)C1O
InChI Key YNMFDPCLPIMRFD-UHFFFAOYSA-N
Molecular Formula C26H28O16
Exact Mass 596.494 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-PR306033
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T19:29:43.392219
MetadataModified 2025-02-09T18:26:18.039785
MetadataPublished 2019-03-28
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
191132 ChEBI
17497403 eMolecules
PD148273 ProbesDrugs
SCHEMBL22548907 SureChEMBL
HMDB0040488 Human Metabolome Database
13887800 PubChem
The data in this table is sourced from UniChem at EBI.