Dataset

epsilon-Viniferin

This MassBank record with Accession MSBNK-RIKEN-PR304268 contains the MS2 mass spectrum of epsilon-Viniferin with the InChIkey FQWLMRXWKZGLFI-YVYUXZJTSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C28H22O6/c29-20-7-2-16(3-8-20)1-4-18-11-24(33)15-25-26(18)27(19-12-22(31)14-23(32)13-19)28(34-25)17-5-9-21(30)10-6-17/h1-15,27-33H/b4-1+/t27-,28+/m1/s1
SMILES OC1=CC=C(\C=C\C2=CC(O)=CC3=C2[C@H]([C@@H](O3)C2=CC=C(O)C=C2)C2=CC(O)=CC(O)=C2)C=C1
InChI Key FQWLMRXWKZGLFI-YVYUXZJTSA-N
Molecular Formula C28H22O6
Exact Mass 454.478 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-PR304268
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T19:43:10.085408
MetadataModified 2025-02-09T18:25:35.751804
MetadataPublished 2019-03-28
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
C10289 KEGG Ligand
CHEMBL1224875 ChEMBL
HY-N3841 MedChemExpress
0K8Z2K6Y7O FDA SRS
50531887 BindingDB
J957.611H Nikkaji
CB91337184 ChemicalBook
J3.428.532B Nikkaji
85284913 PubChem: Thomson Pharma
60027416 NMRShiftDB
PD124705 ProbesDrugs
62218-08-0 ACToR
ZINC000004098643 ZINC
MTBLC10556 Metabolights
5281728 PubChem
SCHEMBL3041632 SureChEMBL
10556 ChEBI
The data in this table is sourced from UniChem at EBI.