| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:19:44 UTC |
|---|
| Update Date | 2025-03-25 01:01:02 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02246501 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C16H22O6 |
|---|
| Molecular Mass | 310.1416 |
|---|
| SMILES | CCC(CCC(=O)O)COC(=O)c1ccc(OC)c(OC)c1 |
|---|
| InChI Key | IJQJMQWBQBUQMJ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzoic acids and derivatives |
|---|
| Direct Parent | m-methoxybenzoic acids and derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alkyl aryl ethersanisolesbenzoic acid estersbenzoyl derivativesbranched fatty acidscarbocyclic fatty acidscarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesdimethoxybenzeneshydrocarbon derivativesmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesorganic oxidesp-methoxybenzoic acids and derivativesphenoxy compounds |
|---|
| Substituents | fatty acylcarbocyclic fatty acidphenol ethercarbonyl groupethercarboxylic acidbenzoylfatty acidbenzoate esteralkyl aryl ethercarboxylic acid derivativemedium-chain hydroxy aciddimethoxybenzeneorganic oxideo-dimethoxybenzenemedium-chain fatty acidm-methoxybenzoic acid or derivativesmethoxybenzenebranched fatty acidaromatic homomonocyclic compoundorganic oxygen compoundp-methoxybenzoic acid or derivativesanisolecarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativephenoxy compoundorganooxygen compound |
|---|
