| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:50:20 UTC |
|---|
| Update Date | 2025-03-25 00:50:11 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02179285 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H14O7 |
|---|
| Molecular Mass | 270.074 |
|---|
| SMILES | COc1ccc(C2OCC(O)(C(=O)O)C2O)cc1O |
|---|
| InChI Key | LRFNBVXBSBDCII-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | phenols |
|---|
| Subclass | methoxyphenols |
|---|
| Direct Parent | methoxyphenols |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 1,2-diols1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersalpha hydroxy acids and derivativesanisolesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkyl ethershydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsphenoxy compoundssecondary alcoholstertiary alcoholstetrahydrofurans |
|---|
| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundalpha-hydroxy acid1-hydroxy-2-unsubstituted benzenoidmethoxyphenolmonosaccharidealkyl aryl ethercarboxylic acid derivativedialkyl etherbeta-hydroxy acidsaccharideorganic oxideorganoheterocyclic compound1,2-diolalcoholtetrahydrofuranhydroxy acid1-hydroxy-4-unsubstituted benzenoidmethoxybenzeneoxacycletertiary alcoholmonocarboxylic acid or derivativesorganic oxygen compoundanisolesecondary alcoholhydrocarbon derivativephenoxy compoundorganooxygen compound |
|---|
