| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:42:00 UTC |
|---|
| Update Date | 2025-03-25 00:47:12 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02160179 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H13NO3 |
|---|
| Molecular Mass | 195.0895 |
|---|
| SMILES | Nc1ccccc1C(=O)OCCCO |
|---|
| InChI Key | JEMFNOYXDWQPSK-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzoic acids and derivatives |
|---|
| Direct Parent | benzoic acid esters |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alcohols and polyolsamino acids and derivativesbenzoyl derivativescarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary aminesvinylogous amides |
|---|
| Substituents | alcoholvinylogous amideamino acid or derivativesbenzoylbenzoate estercarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
|---|
