| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:43:03 UTC |
|---|
| Update Date | 2025-03-25 00:47:34 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02162554 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H14O4 |
|---|
| Molecular Mass | 222.0892 |
|---|
| SMILES | O=C(O)CC(O)CC1OCc2ccccc21 |
|---|
| InChI Key | XUEOYVWINADIFG-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | isocoumarans |
|---|
| Subclass | isocoumarans |
|---|
| Direct Parent | isocoumarans |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | benzenoidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkyl ethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundssecondary alcohols |
|---|
| Substituents | alcoholcarbonyl groupethercarboxylic acidhydroxy acidcarboxylic acid derivativedialkyl etheroxacyclebeta-hydroxy acidorganic oxidemonocarboxylic acid or derivativesisocoumaranorganic oxygen compoundaromatic heteropolycyclic compoundsecondary alcoholhydrocarbon derivativebenzenoidorganooxygen compound |
|---|
