| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:16:50 UTC |
|---|
| Update Date | 2025-03-25 00:59:52 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02239712 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H11NO3 |
|---|
| Molecular Mass | 181.0739 |
|---|
| SMILES | NCC(O)c1cccc(O)c(=O)c1 |
|---|
| InChI Key | MNSHZDHMUFKDEC-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | hydrocarbon derivatives |
|---|
| Class | tropones |
|---|
| Subclass | tropolones |
|---|
| Direct Parent | tropolones |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | aromatic alcoholscyclic ketonesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcohols |
|---|
| Substituents | aromatic alcoholalcoholcyclic ketonearomatic homomonocyclic compoundtropoloneorganic oxideorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
|---|
