| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:00:43 UTC |
|---|
| Update Date | 2025-03-25 00:53:55 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02202857 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C15H10O5 |
|---|
| Molecular Mass | 270.0528 |
|---|
| SMILES | O=C1CCc2c1cc1oc(=O)c3c(c1c2O)CCC3=O |
|---|
| InChI Key | BYQVBWGFZORYHB-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | phenylpropanoids and polyketides |
|---|
| Class | coumarins and derivatives |
|---|
| Subclass | coumarins and derivatives |
|---|
| Direct Parent | coumarins and derivatives |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1-benzopyrans1-hydroxy-4-unsubstituted benzenoidsaryl alkyl ketonesheteroaromatic compoundshydrocarbon derivativesindanoneslactonesorganic oxidesorganooxygen compoundsoxacyclic compoundspyranones and derivatives |
|---|
| Substituents | benzopyranaryl alkyl ketone1-benzopyranheteroaromatic compoundindanone1-hydroxy-4-unsubstituted benzenoidcoumarinketonelactoneoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyranindanepyranonehydrocarbon derivativebenzenoidorganoheterocyclic compoundorganooxygen compoundaryl ketone |
|---|
