Dataset
Pseudopelletierin.noesy
Chemical Info
InChI | InChI=1S/C9H15NO/c1-10-7-3-2-4-8(10)6-9(11)5-7/h7-8H,2-6H2,1H3 |
---|---|
SMILES | CN1C2CCCC1CC(=O)C2 |
InChI Key | RHWSKVCZXBAWLZ-UHFFFAOYSA-N |
Molecular Formula | C9H15NO |
Exact Mass | 153.220 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.57992/nmrxiv.p46.s266.d1562 |
License URL | https://creativecommons.org/licenses/by/4.0/legalcode |
Source | https://nmrxiv.org/D1562 |
Version | |
Author | Georg Heß, Peter Haiss, Dorothee Wistuba, Prof. Dr. Hans-Ullrich Siehl, Prof. Dr. Stefan Berger, Prof. Dr. Dieter Sicker, Prof. Dr. Klaus-Peter Zeller |
Maintainer | |
Language | english |
MetadataCreated | 2024-04-22T15:59:17.303621 |
MetadataModified | 2024-09-23T09:30:49.589044 |
MetadataPublished | 2023-12-25 01:55:15 |
Field | Value |
---|---|
Measurement Technique | n |
Measurement Variables |
|
Data-Source Molecule ID | Data-Source |
---|---|
MolPort-000-157-929 | MolPort |
J14.215H | Nikkaji |
MCULE-4596962992 | Mcule |
60001976 | NMRShiftDB |
HMDB0034580 | Human Metabolome Database |
CB0243920 | ChemicalBook |
CHEMBL2219893 | ChEMBL |
11096 | PubChem |
552-70-5 | ACToR |
SCHEMBL551145 | SureChEMBL |
PD053436 | ProbesDrugs |
LSM-1370 | LINCS |
C10865 | KEGG Ligand |
29541937 | eMolecules |
The data in this table is sourced from UniChem at EBI. |