| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:06:15 UTC |
|---|
| Update Date | 2025-03-21 18:29:23 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00077147 |
|---|
| Frequency | 38.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C16H22O4 |
|---|
| Molecular Mass | 278.1518 |
|---|
| SMILES | CCC1(CCC(=O)O)CCc2cc(O)c(C)c(C)c2O1 |
|---|
| InChI Key | KXMBDVLYKVOAQG-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | benzopyrans |
|---|
| Subclass | 1-benzopyrans |
|---|
| Direct Parent | 1-benzopyrans |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersbenzenoidscarbonyl compoundscarboxylic acidsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compounds |
|---|
| Substituents | fatty acylcarbonyl groupethercarboxylic acid1-benzopyranheterocyclic fatty acid1-hydroxy-2-unsubstituted benzenoidfatty acidalkyl aryl ethercarboxylic acid derivativemedium-chain hydroxy acidorganic oxidearomatic heteropolycyclic compoundmedium-chain fatty acidhydroxy fatty acidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganooxygen compound |
|---|
