| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:37:41 UTC |
|---|
| Update Date | 2025-03-25 00:45:39 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02150413 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C16H20O10 |
|---|
| Molecular Mass | 372.1056 |
|---|
| SMILES | COc1cc(C(=O)OC2C(O)CC(O)(C(=O)O)CC(O)C2O)ccc1O |
|---|
| InChI Key | CCDYHTCBOKOAHZ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzoic acids and derivatives |
|---|
| Direct Parent | m-methoxybenzoic acids and derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersalpha hydroxy acids and derivativesanisolesbenzoyl derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidscyclic alcohols and derivativesdicarboxylic acids and derivativeshydrocarbon derivativesmethoxybenzenesmethoxyphenolsorganic oxidesphenoxy compoundssecondary alcoholstertiary alcoholsp-hydroxybenzoic acid alkyl esters |
|---|
| Substituents | phenol ethercarbonyl groupethercarboxylic acidalpha-hydroxy acidp-hydroxybenzoic acid esterbenzoyl1-hydroxy-2-unsubstituted benzenoidmethoxyphenolbenzoate esteralkyl aryl ethercarboxylic acid derivativeorganic oxidem-methoxybenzoic acid or derivativesalcoholhydroxy acidcyclic alcoholmethoxybenzenep-hydroxybenzoic acid alkyl esteraromatic homomonocyclic compoundtertiary alcoholorganic oxygen compoundanisolecarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativephenoxy compoundorganooxygen compound |
|---|
