Dataset

distortionless enhancement with polarization transfer (DEPT)

dataset for distortionless enhancement with polarization transfer (DEPT)\n\n

InChI	InChI=1S/C14H8O5/c15-8-5-9(16)14(19)11-10(8)12(17)6-3-1-2-4-7(6)13(11)18/h1-5,15-16,19H
SMILES	Oc1c(O)cc(c2c1C(=O)c1ccccc1C2=O)O
InChI Key	BBNQQADTFFCFGB-UHFFFAOYSA-N
Exact Mass	256.210 g/mol

Data and Resources

Field	Value
DOI	10.14272/BBNQQADTFFCFGB-UHFFFAOYSA-N/CHMO0000596
License URL
Source	https://www.chemotion-repository.net/inchikey/BBNQQADTFFCFGB-UHFFFAOYSA-N/CHMO0000596
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T02:15:59.738611
MetadataModified	2024-09-23T09:21:48.629232
MetadataPublished	2024-01-25

Field	Value
Measurement Technique	distortionless enhancement with polarization transfer
Measurement Variables	Temperature : 300.0 K K Puls programme : deptsp90 Number of scans : 256 Title : SG-CCP-3684 Date : 20231212 Start time : 13.21 h Instrument : spect Label : CCP-3514 ID : 287597 Solvent : DMSO

Data-Source Molecule ID	Data-Source
490133	eMolecules
C10395	KEGG Ligand
8645	ChEBI
CHEMBL294264	ChEMBL
ZINC000003861633	ZINC
HY-N0571	MedChemExpress
67454	BindingDB
DTXSID4021214	EPA CompTox Dashboard
CB0715728	ChemicalBook
MTBLC8645	Metabolights
9TF	PDBe
33231	Brenda
6683	PubChem
PD000957	ProbesDrugs
15196889	PubChem: Thomson Pharma
81-54-9	ACToR
L1GT81LS6N	FDA SRS
SCHEMBL33871	SureChEMBL
HMDB0256928	Human Metabolome Database
30100945	NMRShiftDB
MCULE-4728464964	Mcule
YEQGIO	CCDC
J3.859H	Nikkaji
The data in this table is sourced from UniChem at EBI.