Dataset

Quercetin-3-O-vicianoside

This MassBank record with Accession MSBNK-RIKEN-PR302387 contains the MS2 mass spectrum of Quercetin-3-O-vicianoside with the InChIkey YNMFDPCLPIMRFD-KSPKLRDJSA-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/t13-,15+,17-,18+,20-,21+,22+,25-,26-/m0/s1
SMILES O[C@H]1CO[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O
InChI Key YNMFDPCLPIMRFD-KSPKLRDJSA-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-PR302387
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T19:32:29.075625
MetadataModified 2025-02-09T18:33:38.150720
MetadataPublished 2019-03-28
Related Molecule