| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:58:05 UTC |
|---|
| Update Date | 2025-03-21 18:05:34 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00057624 |
|---|
| Frequency | 55.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H9NO3 |
|---|
| Molecular Mass | 155.0582 |
|---|
| SMILES | CNCc1ccc(C(=O)O)o1 |
|---|
| InChI Key | BAOJUFKZZRDRNL-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | furans |
|---|
| Subclass | furoic acid and derivatives |
|---|
| Direct Parent | furoic acids |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | amino acidscarboxylic acidsdialkylaminesheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsoxacyclic compounds |
|---|
| Substituents | secondary aliphatic aminecarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidheteroaromatic compoundsecondary aminecarboxylic acid derivativefuroic acidoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
|---|
