| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:18:36 UTC |
|---|
| Update Date | 2025-03-21 18:35:42 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00106934 |
|---|
| Frequency | 25.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H14O6 |
|---|
| Molecular Mass | 254.079 |
|---|
| SMILES | O=C(O)c1ccccc1C1OC(CO)C(O)C1O |
|---|
| InChI Key | HPVAGXZOXHYOEI-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzoic acids and derivatives |
|---|
| Direct Parent | benzoic acids |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 1-carboxy-2-haloaromatic compoundsbenzoyl derivativesdialkyl ethershydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsprimary alcoholssecondary alcoholstetrahydrofurans |
|---|
| Substituents | ethercarboxylic acidaromatic heteromonocyclic compoundbenzoylmonosaccharidecarboxylic acid derivativedialkyl ethersaccharideorganic oxide1-carboxy-2-haloaromatic compoundbenzoic acidprimary alcoholorganoheterocyclic compoundalcoholtetrahydrofuranoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganooxygen compound |
|---|
