| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:52:34 UTC |
|---|
| Update Date | 2025-03-21 18:03:30 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00044696 |
|---|
| Frequency | 75.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H8O5 |
|---|
| Molecular Mass | 196.0372 |
|---|
| SMILES | O=C(O)Cc1c(O)cccc1C(=O)O |
|---|
| InChI Key | VKHKWFVJVLTRTE-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | phenylacetic acids |
|---|
| Direct Parent | 2(hydroxyphenyl)acetic acids |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzoic acidsbenzoyl derivativescarbonyl compoundsdicarboxylic acids and derivativeshydrocarbon derivativeshydroxybenzoic acid derivativesorganic oxides |
|---|
| Substituents | carbonyl groupcarboxylic acidbenzoyl1-hydroxy-2-unsubstituted benzenoidbenzoic acid or derivatives1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativehydroxybenzoic acidaromatic homomonocyclic compoundorganic oxideorganic oxygen compounddicarboxylic acid or derivativesphenolhydrocarbon derivative1-carboxy-2-haloaromatic compoundbenzoic acidorganooxygen compound2(hydroxyphenyl)acetic acid |
|---|
