| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:35:19 UTC |
|---|
| Update Date | 2025-03-21 17:56:56 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00004611 |
|---|
| Frequency | 1212.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H8O4 |
|---|
| Molecular Mass | 180.0423 |
|---|
| SMILES | COC(=O)c1ccc(C(=O)O)cc1 |
|---|
| InChI Key | REIDAMBAPLIATC-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzoic acids and derivatives |
|---|
| Direct Parent | p-phthalate esters |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | benzoic acid estersbenzoic acidsbenzoyl derivativescarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmethyl estersorganic oxidesorganooxygen compoundsp-phthalic acid and derivatives |
|---|
| Substituents | carboxylic acidbenzoylbenzoate estercarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemethyl esterorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativepara-phthalic acid esterbenzoic acidorganooxygen compoundpara_phthalic_acid |
|---|
