| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:50:23 UTC |
|---|
| Update Date | 2025-03-25 00:50:11 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02179392 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H11NO4 |
|---|
| Molecular Mass | 233.0688 |
|---|
| SMILES | COc1ccc2oc(=O)c(NC(C)=O)cc2c1 |
|---|
| InChI Key | HYQBSQVVXKQEIQ-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-benzopyransacetamidesalkyl aryl ethersanisolescarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeslactonesn-acetylarylaminesorganic oxidesorganopnictogen compoundsoxacyclic compoundspyranones and derivativessecondary carboxylic acid amides |
|---|
| Substituents | phenol ethercarbonyl groupethern-acetylarylamine1-benzopyrann-arylamidealkyl aryl ethercarboxylic acid derivativelactoneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundpyranoneorganopnictogen compoundorganoheterocyclic compoundacetamidebenzopyranheteroaromatic compoundcarboxamide groupcoumarinoxacyclesecondary carboxylic acid amideorganic oxygen compoundpyrananisolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
|---|
