| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:41:23 UTC |
|---|
| Update Date | 2025-03-21 17:59:02 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00018390 |
|---|
| Frequency | 225.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H18O4 |
|---|
| Molecular Mass | 226.1205 |
|---|
| SMILES | OCC(CO)C(CO)Cc1cccc(O)c1 |
|---|
| InChI Key | NSONPPJXDAZLLS-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 benzenoidsbenzene and substituted derivativeshydrocarbon derivativesprimary alcohols |
|---|
| Substituents | alcoholaromatic homomonocyclic compoundmonocyclic benzene moietyorganic oxygen compound1-hydroxy-2-unsubstituted benzenoidhydrocarbon derivative1-hydroxy-4-unsubstituted benzenoidprimary alcoholorganooxygen compound |
|---|
