| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:02:36 UTC |
|---|
| Update Date | 2025-03-25 00:54:34 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02207168 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C20H16O8 |
|---|
| Molecular Mass | 384.0845 |
|---|
| SMILES | O=C(O)C1CCC(Oc2ccc3c(c2)oc(=O)c2ccccc23)OC1C(=O)O |
|---|
| InChI Key | IAWCSIOLNZEGQV-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-benzopyrans2-benzopyransacetalscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesisocoumarins and derivativeslactonesorganic oxidesoxacyclic compoundsoxanesphenol etherspyran carboxylic acidspyranones and derivatives |
|---|
| Substituents | phenol ethercarbonyl groupcarboxylic acid1-benzopyrancarboxylic acid derivativepyran carboxylic acidlactoneorganic oxideacetalaromatic heteropolycyclic compoundpyranoneoxaneorganoheterocyclic compoundbenzopyranpyran carboxylic acid or derivativesheteroaromatic compoundisocoumarincoumarinoxacycleorganic oxygen compoundpyran2-benzopyrandicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganooxygen compound |
|---|
