| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:28:48 UTC |
|---|
| Update Date | 2025-03-21 18:40:48 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00131355 |
|---|
| Frequency | 19.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C16H16O8S |
|---|
| Molecular Mass | 368.0566 |
|---|
| SMILES | COc1ccc(C2Oc3c(cc(O)cc3S(=O)(=O)O)CC2O)cc1O |
|---|
| InChI Key | DCMXUIYJCJQUGY-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | phenylpropanoids and polyketides |
|---|
| Class | flavonoids |
|---|
| Subclass | o-methylated flavonoids |
|---|
| Direct Parent | 4'-o-methylated flavonoids |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1-benzopyrans1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids1-sulfo,2-unsubstituted aromatic compounds3'-hydroxyflavonoids3-hydroxyflavonoids6-hydroxyflavonoidsalkyl aryl ethersanisolesarylsulfonic acids and derivativesflavan-3-olshydrocarbon derivativesmethoxybenzenesmethoxyphenolsorganic oxidesorganosulfonic acidsoxacyclic compoundsphenoxy compoundssecondary alcoholssulfonyls |
|---|
| Substituents | phenol etherorganosulfonic acid or derivativesmonocyclic benzene moiety3-hydroxyflavonoidether1-benzopyranflavanorganosulfonic acid1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherorganosulfur compoundorganic oxidearomatic heteropolycyclic compoundchromaneflavan-3-olorganoheterocyclic compoundalcoholbenzopyran1-sulfo,2-unsubstituted aromatic compound6-hydroxyflavonoid1-hydroxy-4-unsubstituted benzenoidmethoxybenzene3'-hydroxyflavonoidoxacyclesulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativesanisolesecondary alcohol4p-methoxyflavonoid-skeletonphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
|---|
