| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:15:49 UTC |
|---|
| Update Date | 2025-03-21 18:34:16 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00100029 |
|---|
| Frequency | 27.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H8O7 |
|---|
| Molecular Mass | 240.027 |
|---|
| SMILES | O=C(O)CC(=O)Oc1ccc(O)c(C(=O)O)c1 |
|---|
| InChI Key | ZBIJUCILQJRVFA-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | phenol esters |
|---|
| Subclass | phenol esters |
|---|
| Direct Parent | phenol esters |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoidsbenzoic acidsbenzoyl derivativescarbonyl compoundscarboxylic acid estershydrocarbon derivativesorganic oxidesphenoxy compoundssalicylic acidstricarboxylic acids and derivativesvinylogous acids |
|---|
| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidbenzoyl1-hydroxy-2-unsubstituted benzenoidtricarboxylic acid or derivativessalicylic acidcarboxylic acid derivativeorganic oxide1-carboxy-2-haloaromatic compoundbenzoic acidbenzoic acid or derivativeshydroxybenzoic acidaromatic homomonocyclic compoundvinylogous acidorganic oxygen compoundsalicylic acid or derivativescarboxylic acid esterphenol esterphenolhydrocarbon derivativephenoxy compoundorganooxygen compound |
|---|
