| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:05:16 UTC |
|---|
| Update Date | 2025-03-25 00:55:40 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02213573 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H16O5 |
|---|
| Molecular Mass | 216.0998 |
|---|
| SMILES | COC(=O)C1C2CCCC(O2)C(O)C1O |
|---|
| InChI Key | SZCLGFVQYXZKPR-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | hydroxy acids and derivatives |
|---|
| Subclass | beta hydroxy acids and derivatives |
|---|
| Direct Parent | beta hydroxy acids and derivatives |
|---|
| Geometric Descriptor | aliphatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1,2-diolscarbonyl compoundsdialkyl ethershydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanessecondary alcohols |
|---|
| Substituents | alcoholcarbonyl groupethermonosaccharidecarboxylic acid derivativedialkyl etheraliphatic heteropolycyclic compoundoxacyclebeta-hydroxy acidsaccharideorganic oxidemonocarboxylic acid or derivativesmethyl esterorganic oxygen compoundcarboxylic acid estersecondary alcoholhydrocarbon derivativeoxaneorganoheterocyclic compoundorganooxygen compound1,2-diol |
|---|
