| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:21:15 UTC |
|---|
| Update Date | 2025-03-25 01:01:32 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02249960 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H16O5 |
|---|
| Molecular Mass | 264.0998 |
|---|
| SMILES | COc1cccc(C=C(CCCC(=O)O)C(=O)O)c1 |
|---|
| InChI Key | OSAMLXDQKKRGNX-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | phenylpropanoids and polyketides |
|---|
| Class | cinnamic acids and derivatives |
|---|
| Subclass | cinnamic acids and derivatives |
|---|
| Direct Parent | cinnamic acids and derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alkyl aryl ethersanisolesbranched fatty acidscarbocyclic fatty acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmethoxybenzenesorganic oxidesphenoxy compoundsunsaturated fatty acids |
|---|
| Substituents | fatty acylcarbocyclic fatty acidphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidfatty acidalkyl aryl ethercarboxylic acid derivativemedium-chain hydroxy acidunsaturated fatty acidcinnamic acid or derivativesorganic oxidemedium-chain fatty acidmethoxybenzenebranched fatty acidaromatic homomonocyclic compoundorganic oxygen compoundanisoledicarboxylic acid or derivativeshydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
|---|
