| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:07:37 UTC |
|---|
| Update Date | 2025-03-25 00:56:31 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02218939 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C16H22O9 |
|---|
| Molecular Mass | 358.1264 |
|---|
| SMILES | COc1ccc(CCC(=O)O)cc1OC1C(O)OC(CO)C(O)C1O |
|---|
| InChI Key | YCVYESFZFSTITD-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 ethersanisolescarbonyl compoundscarboxylic acidshemiacetalshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundsprimary alcoholssecondary alcohols |
|---|
| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acidmonosaccharidealkyl aryl ethercarboxylic acid derivativesaccharideorganic oxidehemiacetaloxaneprimary alcoholorganoheterocyclic compoundalcoholmethoxybenzeneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundanisolesecondary alcoholhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
|---|
