| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:39:28 UTC |
|---|
| Update Date | 2025-03-21 17:58:25 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00014220 |
|---|
| Frequency | 310.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H10O5 |
|---|
| Molecular Mass | 198.0528 |
|---|
| SMILES | COc1cc(C(=O)O)c(OC)cc1O |
|---|
| InChI Key | USWQSWPPLTXILD-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzoic acids and derivatives |
|---|
| Direct Parent | o-methoxybenzoic acids and derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersanisolesbenzoic acidsbenzoyl derivativesdimethoxybenzeneshydrocarbon derivativeshydroxybenzoic acid derivativesm-methoxybenzoic acids and derivativesmethoxyphenolsmonocarboxylic acids and derivativesorganic oxidesphenoxy compounds |
|---|
| Substituents | phenol etherethercarboxylic acidp-dimethoxybenzenemethoxyphenolbenzoyl1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativedimethoxybenzeneorganic oxideo-methoxybenzoic acid or derivatives1-carboxy-2-haloaromatic compoundbenzoic acidm-methoxybenzoic acid or derivativesmethoxybenzenehydroxybenzoic acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisolephenolhydrocarbon derivativephenoxy compoundorganooxygen compound |
|---|
