| Record Information |
|---|
| HMDB Status | expected |
|---|
| Creation Date | 2024-02-20 23:35:00 UTC |
|---|
| Update Date | 2025-03-21 17:56:50 UTC |
|---|
| HMDB ID | HMDB0304016 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00003865 |
|---|
| Name | 1-naphthoate |
|---|
| Frequency | 1491.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H8O2 |
|---|
| Molecular Mass | 172.0524 |
|---|
| SMILES | O=C(O)c1cccc2ccccc12 |
|---|
| InChI Key | LNETULKMXZVUST-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-carboxy-2-haloaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compounds |
|---|
| Substituents | carboxylic acidaromatic homopolycyclic compound1-naphthalenecarboxylic acidcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivative1-carboxy-2-haloaromatic compoundorganooxygen compound |
|---|
