Dataset

heteronuclear multiple bond coherence (HMBC)

dataset for heteronuclear multiple bond coherence (HMBC)

Chemical Information

molecular Image
InChI InChI=1S/C18H16O3/c1-2-13(12-8-4-3-5-9-12)16-17(19)14-10-6-7-11-15(14)21-18(16)20/h3-11,13,19H,2H2,1H3
SMILES CCC(c1c(=O)oc2c(c1O)cccc2)c1ccccc1
InChI Key DQDAYGNAKTZFIW-UHFFFAOYSA-N
Molecular Formula C18H16O3
Exact Mass 280.318 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DQDAYGNAKTZFIW-UHFFFAOYSA-N/CHMO0000601
License URL
Source https://www.chemotion-repository.net/inchikey/DQDAYGNAKTZFIW-UHFFFAOYSA-N/CHMO0000601
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-01-30
Related Molecule
  • 4-hydroxy-3-(1-phenylpropyl)chromen-2-one
    • Field Value
    Measurement Technique heteronuclear multiple bond coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00946 drugbank
    CHEBI:50438 chebi
    CHEMBL1465 chembl
    29392123 surechembl
    43031 surechembl
    54680692 pubchem
    Q08SIO485D fdasrs
    6839 gtopdb
    PD009625 probes_and_drugs
    108254 brenda
    36316 brenda
    HMDB0015081 hmdb
    50089304 bindingdb
    50310186 bindingdb
    50725372 bindingdb
    50837274 bindingdb
    819 bindingdb
    Molport-005-935-554 molport
    2138 drugcentral
    The data in this table is sourced from UniChem at EBI.