| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:46:47 UTC |
|---|
| Update Date | 2025-03-25 00:48:57 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02171094 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C17H18O7 |
|---|
| Molecular Mass | 334.1053 |
|---|
| SMILES | COc1cc(C(=O)OCC(O)c2ccc(O)c(OC)c2)ccc1O |
|---|
| InChI Key | HITOTIFUUFQIFB-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 ethersanisolesaromatic alcoholsbenzoyl derivativescarboxylic acid estershydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundssecondary alcoholsp-hydroxybenzoic acid alkyl esters |
|---|
| Substituents | aromatic alcoholphenol etheretherp-hydroxybenzoic acid esterbenzoyl1-hydroxy-2-unsubstituted benzenoidmethoxyphenolbenzoate esteralkyl aryl ethercarboxylic acid derivativeorganic oxidem-methoxybenzoic acid or derivativesalcoholmethoxybenzenep-hydroxybenzoic acid alkyl esteraromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid estersecondary alcoholphenolhydrocarbon derivativephenoxy compoundorganooxygen compound |
|---|
