| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:09:44 UTC |
|---|
| Update Date | 2025-03-21 18:31:22 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00085481 |
|---|
| Frequency | 33.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C18H15NO4 |
|---|
| Molecular Mass | 309.1001 |
|---|
| SMILES | O=C(O)c1ccccc1C(=O)OCCc1c[nH]c2ccccc12 |
|---|
| InChI Key | ULZSLTHXTLGYLH-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 heteropolycyclic compounds |
|---|
| Alternative Parents | 1-carboxy-2-haloaromatic compoundsazacyclic compoundsbenzoic acidsbenzoyl derivativescarboxylic acid estersdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesindolesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrroles |
|---|
| Substituents | carboxylic acidindolebenzoylbenzoate estercarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidorganoheterocyclic compoundazacycleheteroaromatic compoundindole or derivativesorganic oxygen compoundcarboxylic acid esterpyrroledicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
