| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:57:58 UTC |
|---|
| Update Date | 2025-03-21 18:05:30 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00057328 |
|---|
| Frequency | 55.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C18H24O10 |
|---|
| Molecular Mass | 400.1369 |
|---|
| SMILES | COc1cc(CC2CCC(=O)O2)cc(OC)c1OC1C(O)OC(O)C(O)C1O |
|---|
| InChI Key | AXMXWONOOHMSLN-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 | 1,2-diolsalkyl aryl ethersanisolescarbonyl compoundscarboxylic acid estersgamma butyrolactoneshemiacetalshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundssecondary alcoholstetrahydrofurans |
|---|
| Substituents | phenol ethercarbonyl groupetheraromatic heteromonocyclic compoundmonosaccharidealkyl aryl ethercarboxylic acid derivativelactonedimethoxybenzenesaccharideorganic oxidehemiacetaloxaneorganoheterocyclic compound1,2-diolalcoholtetrahydrofurangamma butyrolactoneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundm-dimethoxybenzeneanisolecarboxylic acid estersecondary alcoholhydrocarbon derivativephenoxy compoundorganooxygen compound |
|---|
