Dataset
485-35-8.hmqc
Chemical Info
InChI | InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2 |
---|---|
SMILES | O=C1C=CC=C2C3CNCC(C3)CN21 |
InChI Key | ANJTVLIZGCUXLD-UHFFFAOYSA-N |
Molecular Formula | C11H14N2O |
Exact Mass | 190.240 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.57992/nmrxiv.p10.s68.d382 |
License URL | https://creativecommons.org/licenses/by/4.0/legalcode |
Source | https://nmrxiv.org/D382 |
Version | |
Author | |
Maintainer | |
Language | english |
MetadataCreated | 2024-04-22T16:38:37.976190 |
MetadataModified | 2024-09-23T09:34:54.739772 |
MetadataPublished | 2022-10-28 13:30:58 |
Field | Value |
---|---|
Measurement Technique | heteronuclear multiple quantum coherence |
Measurement Variables |
|
Data-Source Molecule ID | Data-Source |
---|---|
50107863 | BindingDB |
86311 | BindingDB |
111178 | ChEBI |
DTXSID80274727 | EPA CompTox Dashboard |
MTBLC111178 | Metabolights |
J364.523A | Nikkaji |
MCULE-9751273485 | Mcule |
HMDB0242209 | Human Metabolome Database |
PD055304 | ProbesDrugs |
22407 | PubChem |
15219839 | PubChem: Thomson Pharma |
485-35-8 | ACToR |
15191-27-2 | ACToR |
SCHEMBL472026 | SureChEMBL |
LSM-22634 | LINCS |
60025683 | NMRShiftDB |
535960 | eMolecules |
C10763 | KEGG Ligand |
The data in this table is sourced from UniChem at EBI. |