| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:03:51 UTC |
|---|
| Update Date | 2025-03-25 00:55:01 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02210167 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H17NO3 |
|---|
| Molecular Mass | 223.1208 |
|---|
| SMILES | CC(O)C(O)C1NCCc2ccc(O)cc21 |
|---|
| InChI Key | DVOMCMYUJMJEQA-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | tetrahydroisoquinolines |
|---|
| Subclass | tetrahydroisoquinolines |
|---|
| Direct Parent | tetrahydroisoquinolines |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1,2-diols1-hydroxy-2-unsubstituted benzenoidsazacyclic compoundsbenzenoidsdialkylamineshydrocarbon derivativesorganopnictogen compoundssecondary alcohols |
|---|
| Substituents | alcoholsecondary aliphatic amineazacycle1-hydroxy-2-unsubstituted benzenoidsecondary amineorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundtetrahydroisoquinolinesecondary alcoholorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine1,2-diol |
|---|
