| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:14:01 UTC |
|---|
| Update Date | 2025-03-25 00:58:52 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02233315 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C15H15NO8 |
|---|
| Molecular Mass | 337.0798 |
|---|
| SMILES | NC1C(Oc2ccc3ccc(=O)oc3c2)OC(C(=O)O)C(O)C1O |
|---|
| InChI Key | ZTDMRVUEHPVEGV-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | phenylpropanoids and polyketides |
|---|
| Class | coumarins and derivatives |
|---|
| Subclass | coumarin glycosides |
|---|
| Direct Parent | coumarin glycosides |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1,2-diols1-benzopyransacetalsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdelta amino acids and derivativesheteroaromatic compoundshydrocarbon derivativeslactonesmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenol etherspyran carboxylic acidspyranones and derivativessecondary alcohols |
|---|
| Substituents | coumarin-7-o-glycosidephenol ethercarbonyl groupcarboxylic acidcoumarin o-glycoside1-benzopyranmonosaccharidecarboxylic acid derivativepyran carboxylic acidlactonebeta-hydroxy acidsaccharideorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundpyranoneorganopnictogen compounddelta amino acid or derivativesoxaneorganoheterocyclic compound1,2-diolalcoholbenzopyranpyran carboxylic acid or derivativesheteroaromatic compoundhydroxy acidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyransecondary alcoholhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
|---|
