| Record Information |
|---|
| HMDB Status | predicted |
|---|
| Creation Date | 2024-02-20 23:37:16 UTC |
|---|
| Update Date | 2025-03-21 17:57:37 UTC |
|---|
| HMDB ID | HMDB0136661 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00009115 |
|---|
| Name | 4,5,7-trihydroxy-2H-chromen-2-one |
|---|
| Frequency | 531.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H6O5 |
|---|
| Molecular Mass | 194.0215 |
|---|
| SMILES | O=c1cc(O)c2c(O)cc(O)cc2o1 |
|---|
| InChI Key | HPNWGYCBCHLEMW-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | phenylpropanoids and polyketides |
|---|
| Class | coumarins and derivatives |
|---|
| Subclass | hydroxycoumarins |
|---|
| Direct Parent | 4-hydroxycoumarins |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1-benzopyrans1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids7-hydroxycoumarinsbenzenoidscoumarins and derivativesheteroaromatic compoundshydrocarbon derivativeslactonesorganic oxidesorganooxygen compoundsoxacyclic compoundspyranones and derivativesvinylogous acids |
|---|
| Substituents | 4-hydroxycoumarinbenzopyran7-hydroxycoumarin1-benzopyranheteroaromatic compound1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidlactoneoxacyclevinylogous acidorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyranpyranonehydrocarbon derivativebenzenoidorganoheterocyclic compoundorganooxygen compound |
|---|
