| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:21:29 UTC |
|---|
| Update Date | 2025-03-25 01:01:37 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02250524 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H16O3 |
|---|
| Molecular Mass | 220.1099 |
|---|
| SMILES | O=C1CC(O)C(CCCc2ccccc2)O1 |
|---|
| InChI Key | WAINDTCJFJJIEM-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | lactones |
|---|
| Subclass | gamma butyrolactones |
|---|
| Direct Parent | gamma butyrolactones |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | benzene and substituted derivativescarbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundssecondary alcoholstetrahydrofurans |
|---|
| Substituents | alcoholmonocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compoundtetrahydrofuranmonosaccharidecarboxylic acid derivativegamma butyrolactoneoxacyclesaccharideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholhydrocarbon derivativebenzenoidorganooxygen compound |
|---|
