Dataset

cis-resveratrol

This MassBank record with Accession MSBNK-RIKEN-PR304164 contains the MS2 mass spectrum of cis-resveratrol with the InChIkey LUKBXSAWLPMMSZ-UPHRSURJSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1-
SMILES OC1=CC=C(\C=C/C2=CC(O)=CC(O)=C2)C=C1
InChI Key LUKBXSAWLPMMSZ-UPHRSURJSA-N
Molecular Formula C14H12O3
Exact Mass 228.247 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-PR304164
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:38:33.234364
MetadataModified 2024-01-11T20:38:33.393350
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL87333 ChEMBL
36002 ChEBI
18187802 eMolecules
20191697 NMRShiftDB
SACPOE CCDC
J638.332G Nikkaji
AUA0K06FSB FDA SRS
PD020729 ProbesDrugs
14773740 PubChem: Thomson Pharma
SCHEMBL1931746 SureChEMBL
HMDB0034118 Human Metabolome Database
DTXSID7032002 EPA CompTox Dashboard
1548910 PubChem
MTBLC36002 Metabolights
CB41176212 ChemicalBook
ZINC000012353732 ZINC
50131698 BindingDB
The data in this table is sourced from UniChem at EBI.