| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:52:49 UTC |
|---|
| Update Date | 2025-03-21 18:03:37 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00045354 |
|---|
| Frequency | 74.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C22H22O11 |
|---|
| Molecular Mass | 462.1162 |
|---|
| SMILES | O=C1CC(c2ccc(O)cc2)Oc2cc(OC3C(O)C(O)C(O)C(O)C3C(=O)O)cc(O)c21 |
|---|
| InChI Key | RELRZACKHDKQGK-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | phenylpropanoids and polyketides |
|---|
| Class | flavonoids |
|---|
| Subclass | flavans |
|---|
| Direct Parent | flavanones |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids4'-hydroxyflavonoids5-hydroxyflavonoidsalkyl aryl ethersaryl alkyl ketonesbenzene and substituted derivativesbeta hydroxy acids and derivativescarboxylic acidschromonescyclitols and derivativescyclohexanolshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsphenol ethersvinylogous acids |
|---|
| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaryl alkyl ketone1-benzopyranflavanone1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativeketonebeta-hydroxy acidorganic oxidechromonearomatic heteropolycyclic compoundchromaneorganoheterocyclic compoundalcoholbenzopyrancyclohexanol5-hydroxyflavonoidcyclitol or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidcyclic alcoholoxacyclevinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcohol4'-hydroxyflavonoidphenolhydrocarbon derivativebenzenoidorganooxygen compoundaryl ketone |
|---|
