| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:57:07 UTC |
|---|
| Update Date | 2025-03-21 18:05:11 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00055343 |
|---|
| Frequency | 57.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H7NO5 |
|---|
| Molecular Mass | 197.0324 |
|---|
| SMILES | Nc1c(C(=O)O)ccc(O)c1C(=O)O |
|---|
| InChI Key | MVXAIZFDSWVKTO-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzoic acids and derivatives |
|---|
| Direct Parent | m-phthalic acid and derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoidsamino acidsbenzoic acidsbenzoyl derivativesdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsprimary aminessalicylic acidsvinylogous acidsvinylogous amides |
|---|
| Substituents | carboxylic acidamino acid or derivativesamino acidbenzoyl1-hydroxy-2-unsubstituted benzenoidsalicylic acidcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundmeta_phthalic_acid1-carboxy-2-haloaromatic compoundbenzoic acidvinylogous amidehydroxybenzoic acidaromatic homomonocyclic compoundvinylogous acidorganic oxygen compoundsalicylic acid or derivativesdicarboxylic acid or derivativesphenolhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
|---|
