| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:51:30 UTC |
|---|
| Update Date | 2025-03-25 00:50:36 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02181945 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H14O5 |
|---|
| Molecular Mass | 226.0841 |
|---|
| SMILES | O=C(O)C(O)COCCc1ccc(O)cc1 |
|---|
| InChI Key | CHBVROMLUNEMOR-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | phenols |
|---|
| Subclass | tyrosols and derivatives |
|---|
| Direct Parent | tyrosols and derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha hydroxy acids and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdialkyl ethershydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidessecondary alcoholssugar acids and derivatives |
|---|
| Substituents | alcoholmonocyclic benzene moietycarbonyl groupethercarboxylic acidalpha-hydroxy acid1-hydroxy-2-unsubstituted benzenoidmonosaccharidehydroxy acidcarboxylic acid derivativedialkyl etheraromatic homomonocyclic compoundsaccharideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundglyceric_acidsecondary alcoholhydrocarbon derivativetyrosol derivativeorganooxygen compound |
|---|
