| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:39:06 UTC |
|---|
| Update Date | 2025-03-25 00:46:11 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02153753 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H8O5 |
|---|
| Molecular Mass | 220.0372 |
|---|
| SMILES | COc1cccc2cc(C(=O)O)oc(=O)c12 |
|---|
| InChI Key | LECCHVMHXVVLLF-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | phenylpropanoids and polyketides |
|---|
| Class | isocoumarins and derivatives |
|---|
| Subclass | isocoumarins and derivatives |
|---|
| Direct Parent | isocoumarins and derivatives |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 2-benzopyransalkyl aryl ethersanisolescarboxylic acidsheteroaromatic compoundshydrocarbon derivativeslactonesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundspyranones and derivativesvinylogous esters |
|---|
| Substituents | phenol etherbenzopyranethercarboxylic acidvinylogous esterheteroaromatic compoundalkyl aryl etherisocoumarincarboxylic acid derivativelactoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundpyrananisole2-benzopyranpyranonehydrocarbon derivativebenzenoidorganoheterocyclic compoundorganooxygen compound |
|---|
