| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:54:10 UTC |
|---|
| Update Date | 2025-03-25 00:51:36 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02188022 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H11NO4 |
|---|
| Molecular Mass | 221.0688 |
|---|
| SMILES | CC(=O)Nc1cc2c(cc1O)OC(=O)CC2 |
|---|
| InChI Key | XVDBYXOQROQNJN-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | phenylpropanoids and polyketides |
|---|
| Class | 3,4-dihydrocoumarins |
|---|
| Subclass | 3,4-dihydrocoumarins |
|---|
| Direct Parent | 3,4-dihydrocoumarins |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1-benzopyrans1-hydroxy-2-unsubstituted benzenoidsacetamidesbenzenoidscarbonyl compoundscarboxylic acid estershydrocarbon derivativeslactonesmonocarboxylic acids and derivativesn-acetylarylaminesorganic oxidesorganopnictogen compoundsoxacyclic compoundssecondary carboxylic acid amides |
|---|
| Substituents | carbonyl groupn-acetylarylamine1-benzopyran1-hydroxy-2-unsubstituted benzenoidn-arylamidecarboxylic acid derivativelactoneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundchromaneorganoheterocyclic compoundacetamidebenzopyran3,4-dihydrocoumarincarboxamide groupoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
|---|
