Dataset

cis-resveratrol

This MassBank record with Accession MSBNK-RIKEN-PR308207 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 C1=CC(=CC=C1/C=C\C2=CC(=CC(=C2)O)O)O
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-PR308207
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T19:48:26.031673
MetadataModified 2025-02-09T18:25:50.816695
MetadataPublished 2019-03-28
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
PD020729 ProbesDrugs
14773740 PubChem: Thomson Pharma
SCHEMBL1931746 SureChEMBL
18187802 eMolecules
AUA0K06FSB FDA SRS
20191697 NMRShiftDB
DTXSID7032002 EPA CompTox Dashboard
MTBLC36002 Metabolights
HMDB0034118 Human Metabolome Database
ZINC000012353732 ZINC
36002 ChEBI
CHEMBL87333 ChEMBL
J638.332G Nikkaji
50131698 BindingDB
SACPOE CCDC
CB41176212 ChemicalBook
1548910 PubChem
The data in this table is sourced from UniChem at EBI.