| Record Information |
|---|
| HMDB Status | predicted |
|---|
| Creation Date | 2024-02-20 23:37:56 UTC |
|---|
| Update Date | 2025-03-21 17:57:52 UTC |
|---|
| HMDB ID | HMDB0133374 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00010697 |
|---|
| Name | [5-(5,7-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)-2-hydroxyphenyl]oxidanesulfonic acid |
|---|
| Frequency | 438.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C15H12O9S |
|---|
| Molecular Mass | 368.0202 |
|---|
| SMILES | O=C1CC(c2ccc(O)c(OS(=O)(=O)O)c2)Oc2cc(O)cc(O)c21 |
|---|
| InChI Key | KNRQIHKYJVNZKE-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | phenylpropanoids and polyketides |
|---|
| Class | flavonoids |
|---|
| Subclass | flavans |
|---|
| Direct Parent | flavanones |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids4'-hydroxyflavonoids5-hydroxyflavonoids7-hydroxyflavonoidsalkyl aryl ethersaryl alkyl ketoneschromoneshydrocarbon derivativesorganic oxidesoxacyclic compoundsphenoxy compoundsphenylsulfatessulfuric acid monoestersvinylogous acids |
|---|
| Substituents | monocyclic benzene moietysulfuric acid monoesteretheraryl alkyl ketone1-benzopyranflavanone1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherketonephenylsulfateorganic oxidechromonearomatic heteropolycyclic compoundchromanearylsulfateorganoheterocyclic compoundbenzopyranorganic sulfuric acid or derivatives5-hydroxyflavonoid1-hydroxy-4-unsubstituted benzenoidoxacyclevinylogous acidorganic oxygen compound7-hydroxyflavonoid4'-hydroxyflavonoidsulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compoundaryl ketone |
|---|
