| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:48:40 UTC |
|---|
| Update Date | 2025-03-25 00:49:36 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02175425 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H12O4 |
|---|
| Molecular Mass | 208.0736 |
|---|
| SMILES | O=C(O)C1CC(O)Cc2cc(O)ccc21 |
|---|
| InChI Key | VBYDMIXBFJCJBB-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 | 1-hydroxy-2-unsubstituted benzenoidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcoholstetralins |
|---|
| Substituents | alcoholtetralincarbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoidaromatic homopolycyclic compound1-naphthalenecarboxylic acidcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganooxygen compound |
|---|
