| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:06:15 UTC |
|---|
| Update Date | 2025-03-21 18:29:23 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00077173 |
|---|
| Frequency | 38.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H14N2O |
|---|
| Molecular Mass | 178.1106 |
|---|
| SMILES | COc1ccc(C2CCCN2)cn1 |
|---|
| InChI Key | UPHRHXBEESDMCP-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | pyridines and derivatives |
|---|
| Subclass | pyrrolidinylpyridines |
|---|
| Direct Parent | pyrrolidinylpyridines |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 2-halopyridinesalkyl aryl ethersazacyclic compoundsdialkylaminesheteroaromatic compoundshydrocarbon derivativesmethylpyridinesorganopnictogen compoundspolyhalopyridinespyrrolidines |
|---|
| Substituents | secondary aliphatic amineetheraromatic heteromonocyclic compoundazacyclepyrrolidinylpyridinepolyhalopyridineheteroaromatic compoundmethylpyridinealkyl aryl ethersecondary amineorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundpyrrolidineorganooxygen compoundamine |
|---|
