| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:59:15 UTC |
|---|
| Update Date | 2025-03-25 00:53:25 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02199536 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H8O3 |
|---|
| Molecular Mass | 164.0473 |
|---|
| SMILES | Cc1ccc2c(c1)OCC(=O)O2 |
|---|
| InChI Key | YEOHVKHEWABGIU-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | benzodioxanes |
|---|
| Subclass | benzo-1,4-dioxanes |
|---|
| Direct Parent | benzo-1,4-dioxanes |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | alkyl aryl ethersbenzenoidscarbonyl compoundscarboxylic acid estershydrocarbon derivativeslactonesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundspara dioxins |
|---|
| Substituents | benzo-1,4-dioxanecarbonyl groupetheralkyl aryl ethercarboxylic acid derivativelactoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundpara-dioxinaromatic heteropolycyclic compoundcarboxylic acid esterhydrocarbon derivativebenzenoidorganooxygen compound |
|---|
