| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:42:46 UTC |
|---|
| Update Date | 2025-03-25 00:47:28 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02161907 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C23H18O12 |
|---|
| Molecular Mass | 486.0798 |
|---|
| SMILES | O=C(O)C1OC(Oc2ccc3c(c2)c(=O)oc2c4c(cc(O)c23)OC2OC=CC42)C(O)C(O)C1O |
|---|
| InChI Key | JLWWWNPMXCFHSO-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | phenylpropanoids and polyketides |
|---|
| Class | coumarins and derivatives |
|---|
| Subclass | furanocoumarins |
|---|
| Direct Parent | angular furanocoumarins |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1-benzopyrans1-hydroxy-2-unsubstituted benzenoids2-benzopyransacetalsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidscoumaransdihydrofuransglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativesisocoumarins and derivativeslactonesmonocarboxylic acids and derivativesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanesphenol etherspyran carboxylic acidspyranones and derivativessecondary alcohols |
|---|
| Substituents | phenol ethercarbonyl groupcarboxylic acidglucuronic acid or derivatives1-benzopyrano-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativepyran carboxylic acidlactone1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetalaromatic heteropolycyclic compoundpyranoneoxaneorganoheterocyclic compoundcoumarandihydrofuranalcoholbenzopyranpyran carboxylic acid or derivativesheteroaromatic compoundhydroxy acidisocoumarinangular furanocoumarinoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyran2-benzopyransecondary alcoholhydrocarbon derivativebenzenoidorganooxygen compound |
|---|
