| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:04:15 UTC |
|---|
| Update Date | 2025-03-21 18:28:31 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00072327 |
|---|
| Frequency | 41.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H16O4 |
|---|
| Molecular Mass | 212.1049 |
|---|
| SMILES | COc1ccc(CC(O)CO)cc1OC |
|---|
| InChI Key | NZKYZDCTLPYISK-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | methoxybenzenes |
|---|
| Direct Parent | dimethoxybenzenes |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1,2-diolsalkyl aryl ethersanisoleshydrocarbon derivativesphenoxy compoundsprimary alcoholssecondary alcohols |
|---|
| Substituents | alcoholphenol etheretheralkyl aryl etheraromatic homomonocyclic compounddimethoxybenzeneorganic oxygen compoundanisoleo-dimethoxybenzenesecondary alcoholhydrocarbon derivativephenoxy compoundprimary alcoholorganooxygen compound1,2-diol |
|---|
