| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:59:53 UTC |
|---|
| Update Date | 2025-03-25 00:53:38 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02201028 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C17H20O11 |
|---|
| Molecular Mass | 400.1006 |
|---|
| SMILES | COc1cc(CCC(=O)O)ccc1OC1CC(O)(C(=O)O)C(C(=O)O)OC1O |
|---|
| InChI Key | CZQCUTPXIHOOLH-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | phenylpropanoids and polyketides |
|---|
| Class | phenylpropanoic acids |
|---|
| Subclass | phenylpropanoic acids |
|---|
| Direct Parent | phenylpropanoic acids |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | alkyl aryl ethersalpha hydroxy acids and derivativesanisolescarbonyl compoundscarboxylic acidshemiacetalshydrocarbon derivativesmethoxybenzenesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidstertiary alcoholstricarboxylic acids and derivatives |
|---|
| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acidalpha-hydroxy acidmonosaccharidetricarboxylic acid or derivativesalkyl aryl ethercarboxylic acid derivativepyran carboxylic acidsaccharideorganic oxidehemiacetaloxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acidmethoxybenzeneoxacycletertiary alcoholorganic oxygen compoundpyrananisolehydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
|---|
