Dataset

trans-Resveratrol annotated NMR 400 MHz DMSOd6 data.

NMR data for trans-Resveratrol Contains: 1D: 1H, 13C 2D: COSY, HSQC, HMBC Spin parameters for 1H and chemical shifts of carbon Attributed 1H, 13C spectra

https://doi.org/10.7910/DVN/MRSC3V, Harvard Dataverse, V1

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-OWOJBTEDSA-N
Molecular Formula C14H12O3
Exact Mass 228.240 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p33.s199.d955
License URL https://creativecommons.org/publicdomain/zero/1.0/legalcode
Source https://nmrxiv.org/D955
Version
Author Bisson J, McAlpine JB, Friesen JB, Chen SN, Graham J, Pauli GF.
Maintainer
Language english
MetadataCreated 2024-04-22T15:32:28.085458
MetadataModified 2024-09-23T09:27:56.492762
MetadataPublished 2023-12-21 14:26:13
Field Value
No additional information available for this Dataset.
Data-Source Molecule ID Data-Source
31100-06-8 ACToR
14822845 PubChem: Thomson Pharma
501-36-0 ACToR
Q369O8926L FDA SRS
resveratrol Atlas
PD001353 ProbesDrugs
TRANS-RESVERATROL clinicaltrials
SCHEMBL19425 SureChEMBL
Resveratrol Selleck
445154 PubChem
193055 Brenda
154437 Brenda
799 Brenda
91278 Brenda
11594 Brenda
SAM001246888 NIH Clinical Collection
45713 Rhea
CB7325012 ChemicalBook
153447 Brenda
PA165291838 PharmGKB
214951 Brenda
MTBLC45713 Metabolights
HMDB0003747 Human Metabolome Database
45713 ChEBI
21968 NMRShiftDB
STL PDBe
12015089 PubChem: Drugs of the Future
DB02709 DrugBank
C03582 KEGG Ligand
CHEMBL165 ChEMBL
23926 BindingDB
CB32735437 ChemicalBook
DALGON CCDC
230158 Brenda
230159 Brenda
RESVERATROL rxnorm
BIA-6-512 clinicaltrials
BIA 6-512 clinicaltrials
RESVERATROL clinicaltrials
HY-16561 MedChemExpress
8741 Guide to Pharmacology
ZINC000000006787 ZINC
LSM-42917 LINCS
MCULE-5678456463 Mcule
DTXSID4031980 EPA CompTox Dashboard
LMPK13090005 LipidMaps
J524.694F Nikkaji
J11.775G Nikkaji
The data in this table is sourced from UniChem at EBI.