| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:39:51 UTC |
|---|
| Update Date | 2025-03-25 00:46:29 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02155493 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H16O2 |
|---|
| Molecular Mass | 216.115 |
|---|
| SMILES | Cc1ccc2c(c1)C(C)(C)CC(C(=O)O)=C2 |
|---|
| InChI Key | VUDFGUMACRRHNO-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | naphthalenes |
|---|
| Subclass | naphthalenecarboxylic acids and derivatives |
|---|
| Direct Parent | naphthalenecarboxylic acids |
|---|
| Geometric Descriptor | aromatic homopolycyclic compounds |
|---|
| Alternative Parents | carbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
|---|
| Substituents | carbonyl groupcarboxylic acidaromatic homopolycyclic compoundcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivative2-naphthalenecarboxylic acidorganooxygen compound |
|---|
