| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:41:17 UTC |
|---|
| Update Date | 2025-03-25 00:46:59 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02158628 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C16H20O4 |
|---|
| Molecular Mass | 276.1362 |
|---|
| SMILES | C=C(C)CCC(C)COC(=O)c1ccc(C(=O)O)cc1 |
|---|
| InChI Key | AAXBLGYSYXDFPW-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 acid esterscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganooxygen compoundsp-phthalic acid and derivatives |
|---|
| Substituents | carboxylic acidbenzoylbenzoate estercarboxylic acid derivativearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativepara-phthalic acid esterbenzoic acidorganooxygen compoundpara_phthalic_acid |
|---|
