| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:58:49 UTC |
|---|
| Update Date | 2025-03-25 00:53:12 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02198517 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H10O7 |
|---|
| Molecular Mass | 254.0427 |
|---|
| SMILES | O=C(O)C(=O)CC(O)c1cccc(C(=O)O)c1O |
|---|
| InChI Key | NBQOMVKTUMOWIL-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-4-unsubstituted benzenoidsalpha-hydroxy ketonesalpha-keto acids and derivativesaromatic alcoholsbenzoic acidsbenzoyl derivativesbeta-hydroxy ketonesdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidessecondary alcoholsvinylogous acids |
|---|
| Substituents | aromatic alcoholbeta-hydroxy ketonecarbonyl groupcarboxylic acidbenzoylsalicylic acidalpha-hydroxy ketonecarboxylic acid derivativeketoneorganic oxidealpha-keto acid1-carboxy-2-haloaromatic compoundbenzoic acidalcohol1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundvinylogous acidorganic oxygen compoundketo acidsecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativeorganooxygen compound |
|---|
