| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:55:59 UTC |
|---|
| Update Date | 2025-03-21 18:04:46 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00052738 |
|---|
| Frequency | 61.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H6O3 |
|---|
| Molecular Mass | 126.0317 |
|---|
| SMILES | Cc1oc(=O)ccc1O |
|---|
| InChI Key | AFRWGSJXXLIKEI-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | pyrans |
|---|
| Subclass | pyranones and derivatives |
|---|
| Direct Parent | pyranones and derivatives |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | heteroaromatic compoundshydrocarbon derivativeslactonesorganic oxidesorganooxygen compoundsoxacyclic compounds |
|---|
| Substituents | lactoneoxacycleorganic oxideorganic oxygen compoundaromatic heteromonocyclic compoundheteroaromatic compoundpyranonehydrocarbon derivativeorganooxygen compound |
|---|
