| Record Information |
|---|
| HMDB Status | predicted |
|---|
| Creation Date | 2024-02-20 23:37:51 UTC |
|---|
| Update Date | 2025-03-21 17:57:50 UTC |
|---|
| HMDB ID | HMDB0130501 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00010495 |
|---|
| Name | 3-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-6,7-diol |
|---|
| Frequency | 448.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C15H14O4 |
|---|
| Molecular Mass | 258.0892 |
|---|
| SMILES | Oc1ccc(C2COc3cc(O)c(O)cc3C2)cc1 |
|---|
| InChI Key | NLIIKGCVOJPMQB-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | phenylpropanoids and polyketides |
|---|
| Class | isoflavonoids |
|---|
| Subclass | isoflavans |
|---|
| Direct Parent | isoflavanols |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1-benzopyrans1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersbenzene and substituted derivativeshydrocarbon derivativesoxacyclic compounds |
|---|
| Substituents | monocyclic benzene moietyetherbenzopyran1-benzopyranisoflavanol1-hydroxy-2-unsubstituted benzenoidalkyl aryl etheroxacycleorganic oxygen compoundaromatic heteropolycyclic compoundchromanephenolhydrocarbon derivativebenzenoidorganoheterocyclic compoundorganooxygen compound |
|---|