| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:43:03 UTC |
|---|
| Update Date | 2025-03-25 00:47:33 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02162549 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H12O6 |
|---|
| Molecular Mass | 240.0634 |
|---|
| SMILES | O=C(O)CC(O)Cc1ccc(C(=O)O)c(O)c1 |
|---|
| InChI Key | JXIYXZJEAADGQK-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzoic acids and derivatives |
|---|
| Direct Parent | salicylic acids |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzoic acidsbenzoyl derivativesbeta hydroxy acids and derivativescarbonyl compoundsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidessecondary alcoholsvinylogous acids |
|---|
| Substituents | carbonyl groupcarboxylic acidbenzoyl1-hydroxy-2-unsubstituted benzenoidsalicylic acidcarboxylic acid derivativebeta-hydroxy acidorganic oxide1-carboxy-2-haloaromatic compoundbenzoic acidalcoholhydroxy acid1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundvinylogous acidorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativeorganooxygen compound |
|---|
