| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:20:48 UTC |
|---|
| Update Date | 2025-03-25 01:01:23 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02248910 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H13NO4 |
|---|
| Molecular Mass | 247.0845 |
|---|
| SMILES | COc1ccc(C(=O)O)cc1NCc1ccco1 |
|---|
| InChI Key | NGZNVJIWEPMXRT-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzoic acids and derivatives |
|---|
| Direct Parent | p-methoxybenzoic acids and derivatives |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | alkyl aryl ethersamino acidsanisolesbenzoic acidsbenzoyl derivativescarboxylic acidsfuransheteroaromatic compoundshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundsphenoxy compoundsphenylalkylaminessecondary alkylarylamines |
|---|
| Substituents | furanphenol etherethercarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidbenzoylalkyl aryl ethercarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundbenzoic acidorganoheterocyclic compoundheteroaromatic compoundsecondary aminemethoxybenzenesecondary aliphatic/aromatic amineoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundp-methoxybenzoic acid or derivativesanisolephenylalkylaminehydrocarbon derivativeorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
|---|
