| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:16:12 UTC |
|---|
| Update Date | 2025-03-25 00:59:37 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02238299 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H16O5 |
|---|
| Molecular Mass | 228.0998 |
|---|
| SMILES | O=C(O)CCCC1CC=CC(CC(=O)O)O1 |
|---|
| InChI Key | BRVVJPMEEIUKIY-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | lipids and lipid-like molecules |
|---|
| Class | fatty acyls |
|---|
| Subclass | fatty acids and conjugates |
|---|
| Direct Parent | heterocyclic fatty acids |
|---|
| Geometric Descriptor | aliphatic heteromonocyclic compounds |
|---|
| Alternative Parents | carbonyl compoundscarboxylic acidsdialkyl ethersdicarboxylic acids and derivativesfatty acylshydrocarbon derivativesorganic oxidesoxacyclic compoundspyransshort-chain hydroxy acids and derivatives |
|---|
| Substituents | carbonyl groupethercarboxylic acidshort-chain hydroxy acidheterocyclic fatty acidcarboxylic acid derivativedialkyl etheroxacycleorganic oxideorganic oxygen compoundpyranaliphatic heteromonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivativeorganoheterocyclic compoundorganooxygen compound |
|---|
