Dataset

Triacetyl resveratrol

This MassBank record with Accession MSBNK-RIKEN-PR304189 contains the MS2 mass spectrum of Triacetyl resveratrol with the InChIkey PDAYUJSOJIMKIS-SNAWJCMRSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C20H18O6/c1-13(21)24-18-8-6-16(7-9-18)4-5-17-10-19(25-14(2)22)12-20(11-17)26-15(3)23/h4-12H,1-3H3/b5-4+
SMILES CC(=O)OC1=CC=C(\C=C\C2=CC(OC(C)=O)=CC(OC(C)=O)=C2)C=C1
InChI Key PDAYUJSOJIMKIS-SNAWJCMRSA-N
Molecular Formula C20H18O6
Exact Mass 354.358 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-PR304189
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:42:08.379273
MetadataModified 2024-01-11T20:42:08.541343
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL597744 ChEMBL
HY-N1410 MedChemExpress
YAJHOI CCDC
J711.381A Nikkaji
LSM-44077 LINCS
ZINC000003978778 ZINC
42206-94-0 ACToR
14778695 PubChem: Thomson Pharma
5962587 PubChem
PD000757 ProbesDrugs
SCHEMBL717979 SureChEMBL
206181 Brenda
DTXSID50873903 EPA CompTox Dashboard
50140157 BindingDB
J3.571.110D Nikkaji
CB92469297 ChemicalBook
The data in this table is sourced from UniChem at EBI.