| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:20:24 UTC |
|---|
| Update Date | 2025-03-21 18:36:35 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00111324 |
|---|
| Frequency | 23.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H10O5 |
|---|
| Molecular Mass | 246.0528 |
|---|
| SMILES | COc1cc2oc(=O)c3c(c2cc1O)CCC3=O |
|---|
| InChI Key | UJKLZZOERJBOKU-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-2-unsubstituted benzenoidsalkyl aryl ethersanisolesaryl alkyl ketonesheteroaromatic compoundshydrocarbon derivativeslactonesorganic oxidesoxacyclic compoundspyranones and derivatives |
|---|
| Substituents | phenol etheretherbenzopyranaryl alkyl ketone1-benzopyranheteroaromatic compound1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercoumarinketonelactoneoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrananisolepyranonehydrocarbon derivativebenzenoidorganoheterocyclic compoundorganooxygen compoundaryl ketone |
|---|
