| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:36:54 UTC |
|---|
| Update Date | 2025-03-21 17:57:29 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00008212 |
|---|
| Frequency | 599.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H12O4 |
|---|
| Molecular Mass | 184.0736 |
|---|
| SMILES | OCC(O)C(O)c1cccc(O)c1 |
|---|
| InChI Key | RWQOEYJVAISMMO-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | phenols |
|---|
| Subclass | 1-hydroxy-2-unsubstituted benzenoids |
|---|
| Direct Parent | 1-hydroxy-2-unsubstituted benzenoids |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-4-unsubstituted benzenoidsaromatic alcoholsbenzene and substituted derivativeshydrocarbon derivativesprimary alcoholssecondary alcohols |
|---|
| Substituents | aromatic alcoholalcoholmonocyclic benzene moiety1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundorganic oxygen compoundsecondary alcoholhydrocarbon derivativeprimary alcoholorganooxygen compound |
|---|
