| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:10:03 UTC |
|---|
| Update Date | 2025-03-25 00:57:24 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02224573 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H10O6 |
|---|
| Molecular Mass | 250.0477 |
|---|
| SMILES | O=C(O)C(CO)Oc1ccc2ccc(=O)oc2c1 |
|---|
| InChI Key | KNJLVHJRFRLYJF-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-benzopyransalkyl aryl ethersbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeslactonesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsphenol ethersphenoxyacetic acid derivativesprimary alcoholspyranones and derivativessugar acids and derivatives |
|---|
| Substituents | phenol etherphenoxyacetatecarbonyl groupethercarboxylic acid1-benzopyranalkyl aryl ethercarboxylic acid derivativelactonebeta-hydroxy acidorganic oxideglyceric_acidaromatic heteropolycyclic compoundpyranoneprimary alcoholorganoheterocyclic compoundalcoholbenzopyranheteroaromatic compoundhydroxy acidcoumarinoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyranhydrocarbon derivativebenzenoidorganooxygen compound |
|---|
