| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:47:13 UTC |
|---|
| Update Date | 2025-03-21 18:01:15 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00031846 |
|---|
| Frequency | 115.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C16H20O6 |
|---|
| Molecular Mass | 308.126 |
|---|
| SMILES | CC1C(Oc2ccc(C(=O)O)cc2)OC(C(=O)O)C(C)C1C |
|---|
| InChI Key | VZFXWKIRYWIVTG-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | pyrans |
|---|
| Subclass | pyran carboxylic acids and derivatives |
|---|
| Direct Parent | pyran carboxylic acids |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | acetalsbenzoic acidsbenzoyl derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compounds |
|---|
| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidpyran carboxylic acid or derivativesaromatic heteromonocyclic compoundbenzoylbenzoic acid or derivativescarboxylic acid derivativeoxacycleorganic oxideorganic oxygen compoundacetaldicarboxylic acid or derivativeshydrocarbon derivativebenzenoidbenzoic acidphenoxy compoundoxaneorganooxygen compound |
|---|
