Dataset

Compound_6[Compound_6_hmbc.jdx]

Chemical Information

InChI	InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15-/m0/s1
SMILES	OC1=CC(O)=C2C[C@H](O)[C@H](C3=CC(O)=C(O)C(O)=C3)OC2=C1
InChI Key	XMOCLSLCDHWDHP-WFASDCNBSA-N

Data and Resources

• Compound_6[Compound_6_hmbc.jdx]HTML
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• heteronuclear-multi...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p154.s1547.d6828
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D6828
Version
Author	Lisa Vuadens, Robin Huber, Laurence Marcourt, Luis-Manuel Quiros-Guerrero, Olivier Auguste Kirchhoffer, Arnaud Gaudry, Renata Campos Nogueira, Elhadji Assane Diop, Sidi Mohamed Seck, Jean-Luc Wolfender and Emerson Ferreira Queiroz
Maintainer
Language	english
MetadataPublished	2025-10-14T16:12:30.000000Z
Related Molecule

Field	Value
Measurement Technique	heteronuclear multiple bond coherence
Measurement Variables	NMR solvent : MeOD acquisition nucleus : ['1H', '13C'] NMR spectrum by dimensionality : 2 NMR probe : Temperature : K magnetic field strength : Tesla number of scans : scans nuclear magnetic resonance pulse sequence : hmbcgplpndqf Spectral Width : number of data points : points relaxation time measurement : seconds

Data-Source Molecule ID	Data-Source
CHEBI:71227	chebi
CHEMBL130415	chembl
1972938	surechembl
10425234	pubchem
ACEREJ	CCDC
214293	brenda
50022405	bindingdb
Molport-001-740-311	molport
The data in this table is sourced from UniChem at EBI.