| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:35:30 UTC |
|---|
| Update Date | 2025-03-21 17:57:00 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00005017 |
|---|
| Frequency | 1087.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C15H20O5 |
|---|
| Molecular Mass | 280.1311 |
|---|
| SMILES | CCC(CCCC(=O)O)COC(=O)c1ccccc1O |
|---|
| InChI Key | KQOKAKLSAYDOTB-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzoic acids and derivatives |
|---|
| Direct Parent | o-hydroxybenzoic acid esters |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzoyl derivativesbranched fatty acidscarbocyclic fatty acidscarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesorganic oxidessalicylic acid and derivativesvinylogous acids |
|---|
| Substituents | fatty acylcarbocyclic fatty acidcarbonyl groupcarboxylic acidbenzoyl1-hydroxy-2-unsubstituted benzenoidfatty acidcarboxylic acid derivativemedium-chain hydroxy acidorganic oxidemedium-chain fatty acidhydroxy fatty acid1-hydroxy-4-unsubstituted benzenoidbranched fatty acidaromatic homomonocyclic compoundvinylogous acidorganic oxygen compoundsalicylic acid or derivativeso-hydroxybenzoic acid estercarboxylic acid esterdicarboxylic acid or derivativesphenolhydrocarbon derivativeorganooxygen compound |
|---|
