Dataset

Resveratrol

This MassBank record with Accession MSBNK-Washington_State_Univ-BML00673 contains the MS2 mass spectrum of Resveratrol with the InChIkey LUKBXSAWLPMMSZ-OWOJBTEDSA-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-OWOJBTEDSA-N
Molecular Formula C14H12O3
Exact Mass 228.079 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML00673
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:10:30.042363
MetadataModified 2025-02-09T20:03:00.456697
MetadataPublished 2016-01-19
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
445154 PubChem
PD001353 ProbesDrugs
TRANS-RESVERATROL clinicaltrials
resveratrol Atlas
Q369O8926L FDA SRS
14822845 PubChem: Thomson Pharma
501-36-0 ACToR
SCHEMBL19425 SureChEMBL
Resveratrol Selleck
31100-06-8 ACToR
153447 Brenda
193055 Brenda
154437 Brenda
799 Brenda
MTBLC45713 Metabolights
11594 Brenda
HMDB0003747 Human Metabolome Database
45713 Rhea
91278 Brenda
45713 ChEBI
21968 NMRShiftDB
DB02709 DrugBank
C03582 KEGG Ligand
CHEMBL165 ChEMBL
STL PDBe
12015089 PubChem: Drugs of the Future
CB32735437 ChemicalBook
23926 BindingDB
230159 Brenda
RESVERATROL rxnorm
BIA-6-512 clinicaltrials
BIA 6-512 clinicaltrials
RESVERATROL clinicaltrials
HY-16561 MedChemExpress
8741 Guide to Pharmacology
LSM-42917 LINCS
MCULE-5678456463 Mcule
DTXSID4031980 EPA CompTox Dashboard
LMPK13090005 LipidMaps
ZINC000000006787 ZINC
J11.775G Nikkaji
J524.694F Nikkaji
DALGON CCDC
230158 Brenda
CB7325012 ChemicalBook
PA165291838 PharmGKB
SAM001246888 NIH Clinical Collection
214951 Brenda
The data in this table is sourced from UniChem at EBI.