| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:39:27 UTC |
|---|
| Update Date | 2025-03-25 00:46:19 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02154571 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C17H16O4 |
|---|
| Molecular Mass | 284.1049 |
|---|
| SMILES | COc1ccc(C2(C)OCc3ccc(C(=O)O)cc32)cc1 |
|---|
| InChI Key | MGWPYKCNHPNAFU-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | isocoumarans |
|---|
| Subclass | isocoumarans |
|---|
| Direct Parent | isocoumarans |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | alkyl aryl ethersanisolescarboxylic acidsdialkyl ethershydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsphenoxy compounds |
|---|
| Substituents | phenol ethermonocyclic benzene moietyethercarboxylic acidalkyl aryl ethercarboxylic acid derivativemethoxybenzenedialkyl etheroxacycleorganic oxidemonocarboxylic acid or derivativesisocoumaranorganic oxygen compoundaromatic heteropolycyclic compoundanisolehydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
|---|
