| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:41:33 UTC |
|---|
| Update Date | 2025-03-21 17:59:06 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00018758 |
|---|
| Frequency | 220.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H10O5 |
|---|
| Molecular Mass | 198.0528 |
|---|
| SMILES | COc1cc(OC)c(C(=O)O)cc1O |
|---|
| InChI Key | WNHBUJFQTQWUOP-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 benzenoids4-alkoxyphenolsalkyl aryl ethersanisolesbenzoic acidsbenzoyl derivativesdimethoxybenzeneshydrocarbon derivativeshydroxybenzoic acid derivativesmethoxyphenolsmonocarboxylic acids and derivativesorganic oxidesp-methoxybenzoic acids and derivativesphenoxy compounds |
|---|
| Substituents | phenol etherethercarboxylic acidbenzoylmethoxyphenol1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativedimethoxybenzeneorganic oxideo-methoxybenzoic acid or derivatives1-carboxy-2-haloaromatic compoundbenzoic acid4-alkoxyphenolmethoxybenzenehydroxybenzoic acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundp-methoxybenzoic acid or derivativesm-dimethoxybenzeneanisolephenolhydrocarbon derivativephenoxy compoundorganooxygen compound |
|---|
