| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:28:52 UTC |
|---|
| Update Date | 2025-03-21 18:40:53 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00131517 |
|---|
| Frequency | 19.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H17NO7 |
|---|
| Molecular Mass | 311.1005 |
|---|
| SMILES | Nc1ccccc1C(=O)OC1CC(O)(C(=O)O)CC(O)C1O |
|---|
| InChI Key | OEKQOSIXXFIJTF-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | alcohols and polyols |
|---|
| Direct Parent | quinic acids and derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alpha hydroxy acids and derivativesamino acidsbenzoic acid estersbenzoyl derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidscyclohexanolsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundsprimary aminestertiary alcoholsvinylogous amides |
|---|
| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidamino acid or derivativesamino acidalpha-hydroxy acidbenzoylbenzoate estercarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundvinylogous amidecyclohexanolbenzoic acid or derivativeshydroxy acidaromatic homomonocyclic compoundtertiary alcoholcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundaminequinic acid |
|---|
