| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:26:36 UTC |
|---|
| Update Date | 2025-03-21 18:39:31 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00126092 |
|---|
| Frequency | 20.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C20H26O11 |
|---|
| Molecular Mass | 442.1475 |
|---|
| SMILES | COc1cc(CC2CCC(=O)O2)cc(OC)c1OC1C(O)C(O)C(O)C(C(=O)O)C1O |
|---|
| InChI Key | XTCXEGRPQRUWCO-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | methoxybenzenes |
|---|
| Direct Parent | dimethoxybenzenes |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | alkyl aryl ethersanisolesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidscyclitols and derivativescyclohexanolsdicarboxylic acids and derivativesgamma butyrolactoneshydrocarbon derivativesorganic oxidesoxacyclic compoundsphenoxy compoundstetrahydrofurans |
|---|
| Substituents | phenol ethercarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundalkyl aryl ethercarboxylic acid derivativelactonedimethoxybenzenebeta-hydroxy acidorganic oxideorganoheterocyclic compoundalcoholtetrahydrofurancyclohexanolcyclitol or derivativeshydroxy acidcyclic alcoholgamma butyrolactoneoxacycleorganic oxygen compoundm-dimethoxybenzeneanisolecarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativephenoxy compoundorganooxygen compound |
|---|
