| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:46:41 UTC |
|---|
| Update Date | 2025-03-21 18:01:02 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00030583 |
|---|
| Frequency | 121.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C17H20O11 |
|---|
| Molecular Mass | 400.1006 |
|---|
| SMILES | COc1cc(C=CC(=O)OC2OC(O)(C(=O)O)CC(O)C2O)cc(OC)c1O |
|---|
| InChI Key | MHHRDHRXAMCYED-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | phenylpropanoids and polyketides |
|---|
| Class | cinnamic acids and derivatives |
|---|
| Subclass | hydroxycinnamic acids and derivatives |
|---|
| Direct Parent | hydroxycinnamic acids |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 1,2-diolsacetalsalkyl aryl ethersalpha hydroxy acids and derivativesanisolescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesdimethoxybenzenesenoate estersfatty acid estershemiacetalshydrocarbon derivativesmethoxyphenolsorganic oxidesoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidssecondary alcohols |
|---|
| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundalpha-hydroxy acidmethoxyphenolalkyl aryl ethercarboxylic acid derivativepyran carboxylic aciddimethoxybenzenealpha,beta-unsaturated carboxylic esterorganic oxideacetalhemiacetaloxaneorganoheterocyclic compound1,2-diolenoate esteralcoholpyran carboxylic acid or derivativeshydroxy acidmethoxybenzenehydroxycinnamic acidoxacyclefatty acid esterorganic oxygen compoundm-dimethoxybenzenepyrananisolecarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
|---|
