| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:46:02 UTC |
|---|
| Update Date | 2025-03-25 00:48:39 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02169377 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C16H24O3 |
|---|
| Molecular Mass | 264.1725 |
|---|
| SMILES | CCCCCc1cc(C(=O)O)cc(C(C)(C)C)c1O |
|---|
| InChI Key | GAESSCLKBPIZPL-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzoic acids and derivatives |
|---|
| Direct Parent | hydroxybenzoic acid derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | benzoic acidsbenzoyl derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsphenolsphenylpropanes |
|---|
| Substituents | carboxylic acidbenzoylcarboxylic acid derivativehydroxybenzoic acidphenylpropanearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzoic acidorganooxygen compound |
|---|
