| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:35:09 UTC |
|---|
| Update Date | 2025-03-21 17:56:52 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00004192 |
|---|
| Frequency | 1346.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H10O2 |
|---|
| Molecular Mass | 126.0681 |
|---|
| SMILES | CC1=C(C(=O)O)CCC1 |
|---|
| InChI Key | QXKNDUSXGFIHHU-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | carboxylic acids and derivatives |
|---|
| Subclass | carboxylic acids |
|---|
| Direct Parent | carboxylic acids |
|---|
| Geometric Descriptor | aliphatic homomonocyclic compounds |
|---|
| Alternative Parents | carbonyl compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
|---|
| Substituents | carbonyl grouporganic oxidemonocarboxylic acid or derivativescarboxylic acidorganic oxygen compoundaliphatic homomonocyclic compoundhydrocarbon derivativeorganooxygen compound |
|---|
