Dataset

Jena_2216-51-5_light.noesy

Jena_2216-51-5_light

InChI	InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10-/m1/s1
SMILES	CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O
InChI Key	NOOLISFMXDJSKH-KXUCPTDWSA-N
Molecular Formula	C10H20O
Exact Mass	156.260 g/mol

Data and Resources

Field	Value
Measurement Technique	noesy
Measurement Variables	NMR solvent : DMSO acquisition nucleus : ['1H', '1H'] NMR spectrum by dimensionality : 2 NMR probe : 5 mm BBO BB-1H/D Z-GRD Z8478/0071 Temperature : 298 K magnetic field strength : 14.096654402599738 Tesla number of scans : 4 scans nuclear magnetic resonance pulse sequence : noesygpph Spectral Width : [5.70064141487484, 5.70064160192714] number of data points : 1161 points relaxation time measurement : 2 seconds

Data-Source Molecule ID	Data-Source
HMDB0003352	Human Metabolome Database
15409	Rhea
PA164776605	PharmGKB
DTXSID1020805	EPA CompTox Dashboard
levomenthol	DailyMed
MTBLC15409	Metabolights
CB7390694	ChemicalBook
16666	PubChem
PD001064	ProbesDrugs
15819	Brenda
10439	Brenda
222803	Brenda
BZ1R15MTK7	FDA SRS
15146951	PubChem: Thomson Pharma
15219325	PubChem: Thomson Pharma
484003	eMolecules
20182362	NMRShiftDB
MCULE-8181548788	Mcule
MCULE-9383663409	Mcule
LEVOMENTHOL	DailyMed
BAVLOZ	CCDC
50318482	BindingDB
LEVOMENTHOL	rxnorm
NPO-11	clinicaltrials
LEVOMENTHOL	clinicaltrials
L-MENTHOL	clinicaltrials
MENTHOL	clinicaltrials
YS08XHA860	FDA SRS
DTXSID1022180	EPA CompTox Dashboard
LMPR0102090001	LipidMaps
934	DrugCentral
ZINC000001482164	ZINC
SCHEMBL4613	SureChEMBL
J9.251G	Nikkaji
48347	Brenda
DB00825	DrugBank
C00400	KEGG Ligand
CHEMBL470670	ChEMBL
15409	ChEBI
2430	Guide to Pharmacology
The data in this table is sourced from UniChem at EBI.