| Record Information |
|---|
| HMDB Status | predicted |
|---|
| Creation Date | 2024-02-21 00:02:16 UTC |
|---|
| Update Date | 2025-03-21 18:07:10 UTC |
|---|
| HMDB ID | HMDB0140295 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00067566 |
|---|
| Name | 5,14,15-trihydroxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-9-one |
|---|
| Frequency | 45.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C15H8O6 |
|---|
| Molecular Mass | 284.0321 |
|---|
| SMILES | O=c1oc2cc(O)ccc2c2oc3c(O)c(O)ccc3c12 |
|---|
| InChI Key | XGHWSUUMEKFILK-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | phenylpropanoids and polyketides |
|---|
| Class | isoflavonoids |
|---|
| Subclass | coumestans |
|---|
| Direct Parent | coumestans |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1-benzopyrans1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsangular furanocoumarinsbenzenoidsbenzofuransfuransfuropyransheteroaromatic compoundshydrocarbon derivativeslactonesorganic oxidesorganooxygen compoundsoxacyclic compoundspyranones and derivatives |
|---|
| Substituents | furanfuranocoumarinbenzopyranbenzofuran1-benzopyranheteroaromatic compound1-hydroxy-2-unsubstituted benzenoidfuropyran1-hydroxy-4-unsubstituted benzenoidcoumarinangular furanocoumarinlactoneoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyranpyranonecoumestanhydrocarbon derivativebenzenoidorganoheterocyclic compoundorganooxygen compound |
|---|
