| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:52:45 UTC |
|---|
| Update Date | 2025-03-21 18:03:35 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00045183 |
|---|
| Frequency | 74.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C15H10O10S |
|---|
| Molecular Mass | 381.9995 |
|---|
| SMILES | O=c1c(O)c(-c2ccc(OS(=O)(=O)O)c(O)c2)oc2cc(O)cc(O)c12 |
|---|
| InChI Key | WNILMGLHADIIDH-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | phenylpropanoids and polyketides |
|---|
| Class | flavonoids |
|---|
| Subclass | flavones |
|---|
| Direct Parent | flavonols |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids3'-hydroxyflavonoids3-hydroxyflavonoids5-hydroxyflavonoids7-hydroxyflavonoidschromonesflavonoidsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganooxygen compoundsoxacyclic compoundsphenoxy compoundsphenylsulfatespyranones and derivativessulfuric acid monoestersvinylogous acids |
|---|
| Substituents | 3-hydroxyflavonemonocyclic benzene moiety3-hydroxyflavonoidsulfuric acid monoester1-benzopyran1-hydroxy-2-unsubstituted benzenoidphenylsulfateorganic oxidechromonearomatic heteropolycyclic compoundpyranonearylsulfateorganoheterocyclic compoundbenzopyranorganic sulfuric acid or derivativesheteroaromatic compound5-hydroxyflavonoid1-hydroxy-4-unsubstituted benzenoid3'-hydroxyflavonoidoxacyclevinylogous acidorganic oxygen compoundpyran7-hydroxyflavonoidsulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
|---|
