Dataset

trans-Resveratrol annotated NMR 400 MHz DMSOd6 data[COSY.jdx]

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 Information

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.d957
License URL https://creativecommons.org/publicdomain/zero/1.0/legalcode
Source https://nmrxiv.org/D957
Version
Author Bisson J, McAlpine JB, Friesen JB, Chen SN, Graham J, Pauli GF.
Maintainer
Language english
MetadataPublished 2023-12-21T14:26:13.000000Z
Related Molecule
  • 5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol
    • Field Value
    Measurement Technique correlation spectroscopy
    Measurement Variables
    NMR solvent : DMSO-D6

    acquisition nucleus : ['1H', '1H']

    NMR spectrum by dimensionality : 2

    NMR probe :

    Temperature : K

    magnetic field strength : Tesla

    number of scans : scans

    nuclear magnetic resonance pulse sequence : cosy_pfg.jxp

    Spectral Width :

    number of data points : points

    relaxation time measurement : seconds

    Data-Source Molecule ID Data-Source
    DB02709 drugbank
    LMPK13090005 lipidmaps
    STL rcsb_pdb
    CHEMBL165 chembl
    19425 surechembl
    445154 pubchem
    Q369O8926L fdasrs
    CHEBI:45713 rhea
    PD001353 probes_and_drugs
    DALGON CCDC
    11594 brenda
    153447 brenda
    154437 brenda
    187281 brenda
    193055 brenda
    214951 brenda
    230158 brenda
    230159 brenda
    799 brenda
    91278 brenda
    HMDB0003747 hmdb
    105582 bindingdb
    105707 bindingdb
    113945 bindingdb
    125561 bindingdb
    126720 bindingdb
    1364051 bindingdb
    1364055 bindingdb
    1464174 bindingdb
    171907 bindingdb
    178962 bindingdb
    179031 bindingdb
    289679 bindingdb
    321246 bindingdb
    43610 bindingdb
    43635 bindingdb
    50071078 bindingdb
    50071079 bindingdb
    50071954 bindingdb
    50072271 bindingdb
    50074105 bindingdb
    50074468 bindingdb
    50107603 bindingdb
    50129549 bindingdb
    50132415 bindingdb
    50138034 bindingdb
    50147939 bindingdb
    50159854 bindingdb
    50162206 bindingdb
    50172062 bindingdb
    50175837 bindingdb
    50326819 bindingdb
    50352073 bindingdb
    50352103 bindingdb
    50352106 bindingdb
    50363616 bindingdb
    50392306 bindingdb
    50392318 bindingdb
    50415095 bindingdb
    50428967 bindingdb
    50457282 bindingdb
    50457284 bindingdb
    50460710 bindingdb
    50460715 bindingdb
    50467826 bindingdb
    50467831 bindingdb
    50473585 bindingdb
    50473607 bindingdb
    50500262 bindingdb
    50500296 bindingdb
    50500998 bindingdb
    50501005 bindingdb
    50508482 bindingdb
    50555600 bindingdb
    50573040 bindingdb
    50573047 bindingdb
    50573052 bindingdb
    50586136 bindingdb
    50586139 bindingdb
    50586142 bindingdb
    50588128 bindingdb
    50640520 bindingdb
    50646818 bindingdb
    50710904 bindingdb
    50712652 bindingdb
    50713948 bindingdb
    50713975 bindingdb
    50714002 bindingdb
    50722467 bindingdb
    50722471 bindingdb
    50759386 bindingdb
    50762972 bindingdb
    50762980 bindingdb
    50763007 bindingdb
    50767388 bindingdb
    50767394 bindingdb
    50789504 bindingdb
    50789759 bindingdb
    50837686 bindingdb
    50837695 bindingdb
    50855215 bindingdb
    50855224 bindingdb
    50868121 bindingdb
    50868124 bindingdb
    50868127 bindingdb
    50870547 bindingdb
    50870750 bindingdb
    50870766 bindingdb
    50870767 bindingdb
    50881052 bindingdb
    50881282 bindingdb
    50917226 bindingdb
    50917233 bindingdb
    50917240 bindingdb
    50917247 bindingdb
    50917254 bindingdb
    50917261 bindingdb
    50917268 bindingdb
    50917275 bindingdb
    50917282 bindingdb
    50917289 bindingdb
    50917296 bindingdb
    50917303 bindingdb
    50917310 bindingdb
    50929798 bindingdb
    50929853 bindingdb
    50929854 bindingdb
    50929855 bindingdb
    50929856 bindingdb
    50929857 bindingdb
    50929858 bindingdb
    50929859 bindingdb
    50929860 bindingdb
    50929861 bindingdb
    50929862 bindingdb
    50929863 bindingdb
    50929864 bindingdb
    50971902 bindingdb
    50982157 bindingdb
    50982164 bindingdb
    51001811 bindingdb
    51020922 bindingdb
    51052026 bindingdb
    51057443 bindingdb
    51076640 bindingdb
    51076641 bindingdb
    51076642 bindingdb
    51123539 bindingdb
    51124449 bindingdb
    51125534 bindingdb
    51126217 bindingdb
    51127674 bindingdb
    51130822 bindingdb
    51137403 bindingdb
    51142758 bindingdb
    51142764 bindingdb
    51156232 bindingdb
    51167126 bindingdb
    51181735 bindingdb
    51196908 bindingdb
    51220221 bindingdb
    51240597 bindingdb
    51240599 bindingdb
    51240600 bindingdb
    51240609 bindingdb
    51241058 bindingdb
    51241064 bindingdb
    51263260 bindingdb
    51265774 bindingdb
    51299462 bindingdb
    51299485 bindingdb
    51328912 bindingdb
    51342798 bindingdb
    51371650 bindingdb
    51383653 bindingdb
    51383658 bindingdb
    51420460 bindingdb
    51429649 bindingdb
    51451511 bindingdb
    51451540 bindingdb
    51451912 bindingdb
    51463294 bindingdb
    51475760 bindingdb
    51475762 bindingdb
    51475826 bindingdb
    51508773 bindingdb
    51510657 bindingdb
    51512160 bindingdb
    51512163 bindingdb
    51519969 bindingdb
    51537037 bindingdb
    51537045 bindingdb
    51537047 bindingdb
    51537049 bindingdb
    51568232 bindingdb
    51568241 bindingdb
    51568252 bindingdb
    53184 bindingdb
    53982 bindingdb
    92272 bindingdb
    97338 bindingdb
    99014 bindingdb
    Molport-002-499-801 molport
    The data in this table is sourced from UniChem at EBI.