| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:14:28 UTC |
|---|
| Update Date | 2025-03-21 18:33:38 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00096755 |
|---|
| Frequency | 28.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C15H14O3 |
|---|
| Molecular Mass | 242.0943 |
|---|
| SMILES | Cc1cc2oc(=O)c3c(c2c(C)c1C)CCC3=O |
|---|
| InChI Key | DHBOPROHJFDNLH-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-benzopyransaryl alkyl ketonesbenzenoidsheteroaromatic compoundshydrocarbon derivativeslactonesorganic oxidesorganooxygen compoundsoxacyclic compoundspyranones and derivatives |
|---|
| Substituents | benzopyranaryl alkyl ketone1-benzopyranheteroaromatic compoundcoumarinketonelactoneoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyranpyranonehydrocarbon derivativebenzenoidorganoheterocyclic compoundorganooxygen compoundaryl ketone |
|---|
