| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:59:59 UTC |
|---|
| Update Date | 2025-03-25 00:53:41 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02201245 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H12O7 |
|---|
| Molecular Mass | 268.0583 |
|---|
| SMILES | COc1c(O)cc(CC2OC(=O)C(O)=C2O)cc1O |
|---|
| InChI Key | PGLPQPGZUYZWOY-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | phenols |
|---|
| Subclass | methoxyphenols |
|---|
| Direct Parent | methoxyphenols |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersanisolesbutenolidescarbonyl compoundsdihydrofuransenoate estershydrocarbon derivativeslactonesmethoxybenzenesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsphenoxy compoundsresorcinolsvinylogous acids |
|---|
| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetheraromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidmethoxyphenolmonosaccharidealkyl aryl ethercarboxylic acid derivativeresorcinollactonealpha,beta-unsaturated carboxylic ester2-furanonesaccharideorganic oxideorganoheterocyclic compounddihydrofuranenoate ester1-hydroxy-4-unsubstituted benzenoidmethoxybenzeneoxacyclevinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid esterhydrocarbon derivativephenoxy compoundorganooxygen compound |
|---|
