Record Information |
---|
HMDB Status | Not Available |
---|
Creation Date | 2024-02-21 14:39:03 UTC |
---|
Update Date | 2025-03-25 00:46:10 UTC |
---|
HMDB ID | Not Available |
---|
Metabolite Identification |
---|
DeepMet ID | DMID02153598 |
---|
Frequency | 0.5 |
---|
Structure | |
---|
Chemical Formula | C17H22O11 |
---|
Molecular Mass | 402.1162 |
---|
SMILES | COc1ccc(CCC(=O)OCOC2OC(C(=O)O)C(O)C(O)C2O)c(O)c1 |
---|
InChI Key | WSHZNCIJTFVCJZ-UHFFFAOYSA-N |
---|
Chemical Taxonomy |
---|
Kingdom | organic compounds |
---|
Superclass | organic oxygen compounds |
---|
Class | organooxygen compounds |
---|
Subclass | carbohydrates and carbohydrate conjugates |
---|
Direct Parent | o-glucuronides |
---|
Geometric Descriptor | aromatic heteromonocyclic compounds |
---|
Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsalkyl aryl ethersanisolesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesfatty acid estersglucuronic acid derivativeshydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidssecondary alcohols |
---|
Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundmethoxyphenolo-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetaloxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidmethoxybenzeneoxacyclefatty acid esterpyrananisolecarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidphenoxy compound |
---|