| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:21:51 UTC |
|---|
| Update Date | 2025-03-21 18:37:16 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00114852 |
|---|
| Frequency | 23.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C16H14O8S |
|---|
| Molecular Mass | 366.0409 |
|---|
| SMILES | COc1ccc(C2CC(=O)c3c(cc(O)cc3S(=O)(=O)O)O2)cc1O |
|---|
| InChI Key | ZTKMJYJYSVAUSP-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-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids1-sulfo,2-unsubstituted aromatic compounds3'-hydroxyflavonoids7-hydroxyflavonoidsalkyl aryl ethersanisolesaryl alkyl ketonesarylsulfonic acids and derivativeschromonesflavanoneshydrocarbon derivativesmethoxybenzenesmethoxyphenolsorganic oxidesorganosulfonic acidsoxacyclic compoundsphenoxy compoundssulfonyls |
|---|
| Substituents | phenol etherorganosulfonic acid or derivativesmonocyclic benzene moietyetheraryl alkyl ketone1-benzopyranflavanoneflavanorganosulfonic acid1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherorganosulfur compoundketoneorganic oxidechromonearomatic heteropolycyclic compoundchromaneorganoheterocyclic compoundbenzopyran1-sulfo,2-unsubstituted aromatic compound1-hydroxy-4-unsubstituted benzenoidmethoxybenzene3'-hydroxyflavonoidoxacyclesulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativesanisole7-hydroxyflavonoid4p-methoxyflavonoid-skeletonphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compoundaryl ketone |
|---|
