Record Information |
---|
HMDB Status | Not Available |
---|
Creation Date | 2024-02-21 00:17:57 UTC |
---|
Update Date | 2025-03-21 18:35:22 UTC |
---|
HMDB ID | Not Available |
---|
Metabolite Identification |
---|
DeepMet ID | DMID00105305 |
---|
Frequency | 25.7 |
---|
Structure | |
---|
Chemical Formula | C13H16O8 |
---|
Molecular Mass | 300.0845 |
---|
SMILES | COc1cc(C(=O)O)ccc1OC1OC(CO)C(O)C1O |
---|
InChI Key | RNUPTFUJBGWQJC-UHFFFAOYSA-N |
---|
Chemical Taxonomy |
---|
Kingdom | organic compounds |
---|
Superclass | phenylpropanoids and polyketides |
---|
Class | tannins |
---|
Subclass | hydrolyzable tannins |
---|
Direct Parent | hydrolyzable tannins |
---|
Geometric Descriptor | aromatic heteromonocyclic compounds |
---|
Alternative Parents | acetalsalkyl aryl ethersanisolesbenzoic acidsbenzoyl derivativescarboxylic acidshydrocarbon derivativesm-methoxybenzoic acids and derivativesmethoxybenzenesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsphenoxy compoundsprimary alcoholssecondary alcoholstetrahydrofurans |
---|
Substituents | phenol ethermonocyclic benzene moietyethercarboxylic acidaromatic heteromonocyclic compoundbenzoylmonosaccharidealkyl aryl ethercarboxylic acid derivativesaccharideorganic oxideacetalbenzoic acidm-methoxybenzoic acid or derivativesprimary alcoholorganoheterocyclic compoundhydrolyzable tanninalcoholtetrahydrofuranbenzoic acid or derivativesmethoxybenzeneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundanisolesecondary alcoholhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
---|