| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:49:08 UTC |
|---|
| Update Date | 2025-03-25 00:49:46 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02176508 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C19H18O7 |
|---|
| Molecular Mass | 358.1053 |
|---|
| SMILES | O=c1oc2cc(OC3C(O)C(O)CC(O)C3O)ccc2c2ccccc12 |
|---|
| InChI Key | IGHIWRJAVNDPHD-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-benzopyransalkyl aryl etherscyclitols and derivativescyclohexanolsheteroaromatic compoundshydrocarbon derivativesisocoumarins and derivativeslactonesorganic oxidesoxacyclic compoundsphenol etherspyranones and derivatives |
|---|
| Substituents | phenol etherether1-benzopyranalkyl aryl etherlactoneorganic oxidearomatic heteropolycyclic compoundpyranoneorganoheterocyclic compoundalcoholbenzopyranheteroaromatic compoundcyclohexanolcyclitol or derivativescyclic alcoholisocoumarincoumarinoxacycleorganic oxygen compoundpyran2-benzopyransecondary alcoholhydrocarbon derivativebenzenoidorganooxygen compound |
|---|
