Record Information |
---|
HMDB Status | Not Available |
---|
Creation Date | 2024-02-20 23:38:56 UTC |
---|
Update Date | 2025-03-21 17:58:14 UTC |
---|
HMDB ID | Not Available |
---|
Metabolite Identification |
---|
DeepMet ID | DMID00013009 |
---|
Frequency | 346.5 |
---|
Structure | |
---|
Chemical Formula | C17H18O8S |
---|
Molecular Mass | 382.0722 |
---|
SMILES | COc1ccc(C2Oc3cc(OS(=O)O)cc(O)c3CC2O)cc1OC |
---|
InChI Key | MCYTWJJVPBMSQD-UHFFFAOYSA-N |
---|
Chemical Taxonomy |
---|
Kingdom | organic compounds |
---|
Superclass | phenylpropanoids and polyketides |
---|
Class | flavonoids |
---|
Subclass | flavans |
---|
Direct Parent | catechins |
---|
Geometric Descriptor | aromatic heteropolycyclic compounds |
---|
Alternative Parents | 1-benzopyrans1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids3'-o-methylated flavonoids3-hydroxyflavonoids4'-o-methylated flavonoids5-hydroxyflavonoidsalkyl aryl ethersanisolesdimethoxybenzeneshydrocarbon derivativesorganic oxidesoxacyclic compoundsphenoxy compoundssecondary alcohols |
---|
Substituents | phenol ethermonocyclic benzene moiety3-hydroxyflavonoidether1-benzopyran1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherdimethoxybenzeneorganic oxidearomatic heteropolycyclic compoundo-dimethoxybenzenechromanecatechinorganoheterocyclic compoundalcoholbenzopyran5-hydroxyflavonoid1-hydroxy-4-unsubstituted benzenoidmethoxybenzene3p-methoxyflavonoid-skeletonoxacycleorganic oxygen compoundanisolesecondary alcohol4p-methoxyflavonoid-skeletonhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
---|