| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:09:06 UTC |
|---|
| Update Date | 2025-03-21 18:31:01 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00083995 |
|---|
| Frequency | 34.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H13NO4 |
|---|
| Molecular Mass | 247.0845 |
|---|
| SMILES | COc1ccc(NCc2ccco2)c(C(=O)O)c1 |
|---|
| InChI Key | GNBAKAIKEVWMTR-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzoic acids and derivatives |
|---|
| Direct Parent | m-methoxybenzoic acids and derivatives |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 1-carboxy-2-haloaromatic compoundsalkyl aryl ethersamino acidsanisolesbenzoic acidsbenzoyl derivativesfuransheteroaromatic compoundshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundsphenoxy compoundsphenylalkylaminessecondary alkylarylaminesvinylogous amides |
|---|
| Substituents | furanphenol etherethercarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidbenzoylalkyl aryl ethercarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidm-methoxybenzoic acid or derivativesorganoheterocyclic compoundvinylogous amideheteroaromatic compoundsecondary aminemethoxybenzenesecondary aliphatic/aromatic amineoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundanisolephenylalkylaminehydrocarbon derivativeorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
|---|
