| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:50:49 UTC |
|---|
| Update Date | 2025-03-25 00:50:21 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02180379 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C16H12O7S |
|---|
| Molecular Mass | 348.0304 |
|---|
| SMILES | COc1ccc(-c2oc3cc(S(=O)O)cc(O)c3c(=O)c2O)cc1 |
|---|
| InChI Key | GRZVONJPIXWIHM-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-hydroxyflavonoids4'-o-methylated flavonoids5-hydroxyflavonoidsalkyl aryl ethersanisoleschromonesflavonoidsheteroaromatic compoundshydrocarbon derivativesmethoxybenzenesorganic oxidesorganosulfur compoundsoxacyclic compoundsphenoxy compoundspyranones and derivativessulfinic acidsvinylogous acids |
|---|
| Substituents | 3-hydroxyflavonephenol ethermonocyclic benzene moiety3-hydroxyflavonoidether1-benzopyransulfinic acid derivative1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherorganosulfur compoundsulfinic acidorganic oxidechromonearomatic heteropolycyclic compoundpyranoneorganoheterocyclic compoundbenzopyranheteroaromatic compound5-hydroxyflavonoid1-hydroxy-4-unsubstituted benzenoidmethoxybenzeneoxacyclevinylogous acidorganic oxygen compoundpyrananisole4p-methoxyflavonoid-skeletonhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
|---|
