| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:19:05 UTC |
|---|
| Update Date | 2025-03-25 01:00:49 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02244980 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H12O4 |
|---|
| Molecular Mass | 196.0736 |
|---|
| SMILES | CCc1cc(OC)cc(C(=O)O)c1O |
|---|
| InChI Key | RPWQHNWTQWHKMJ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzoic acids and derivatives |
|---|
| Direct Parent | m-methoxybenzoic acids and derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-carboxy-2-haloaromatic compounds4-alkoxyphenolsalkyl aryl ethersanisolesbenzoic acidsbenzoyl derivativeshydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundssalicylic acidsvinylogous acids |
|---|
| Substituents | phenol etherethercarboxylic acidbenzoylmethoxyphenolsalicylic acidalkyl aryl ethercarboxylic acid derivativeorganic oxide1-carboxy-2-haloaromatic compoundbenzoic acidm-methoxybenzoic acid or derivatives4-alkoxyphenolmethoxybenzenehydroxybenzoic acidaromatic homomonocyclic compoundvinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundsalicylic acid or derivativesanisolephenolhydrocarbon derivativephenoxy compoundorganooxygen compound |
|---|
