| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:07:34 UTC |
|---|
| Update Date | 2025-03-25 00:56:30 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02218821 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H17NO3 |
|---|
| Molecular Mass | 235.1208 |
|---|
| SMILES | Cc1ccc2c(c1)C(CCCN)(C(=O)O)OC2 |
|---|
| InChI Key | RRSFNNDKRPUYIE-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | carboxylic acids and derivatives |
|---|
| Subclass | amino acids, peptides, and analogues |
|---|
| Direct Parent | delta amino acids and derivatives |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | benzenoidscarbonyl compoundscarboxylic acidsdialkyl ethershydrocarbon derivativesisocoumaransmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compounds |
|---|
| Substituents | carbonyl groupethercarboxylic aciddialkyl etheroxacycleorganic oxidemonocarboxylic acid or derivativesisocoumaranorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compounddelta amino acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
|---|
