| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:37:44 UTC |
|---|
| Update Date | 2025-03-25 00:45:39 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02150524 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C17H18O10 |
|---|
| Molecular Mass | 382.09 |
|---|
| SMILES | COc1cc(C=CC(=O)OC2CC(O)(C(=O)O)C(O)C(O)C2=O)ccc1O |
|---|
| InChI Key | CUJUOAVBFJFROR-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 homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersalpha hydroxy acids and derivativesalpha-acyloxy ketonesanisolesbeta hydroxy acids and derivativescarboxylic acidscyclic ketonescyclitols and derivativesdicarboxylic acids and derivativesenoate estersfatty acid estershydrocarbon derivativesmethoxybenzenesmethoxyphenolsorganic oxidesphenoxy compoundssecondary alcoholstertiary alcohols |
|---|
| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidalpha-acyloxy ketonealpha-hydroxy acid1-hydroxy-2-unsubstituted benzenoidmethoxyphenolcyclic ketonealkyl aryl ethercarboxylic acid derivativeketonealpha,beta-unsaturated carboxylic esterbeta-hydroxy acidorganic oxideenoate esteralcoholcyclitol or derivativeshydroxy acidcyclic alcoholmethoxybenzenehydroxycinnamic acidaromatic homomonocyclic compoundfatty acid estertertiary alcoholorganic oxygen compoundanisolecarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
|---|
