| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:57:11 UTC |
|---|
| Update Date | 2025-03-21 18:05:12 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00055469 |
|---|
| Frequency | 57.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C22H20O12 |
|---|
| Molecular Mass | 476.0955 |
|---|
| SMILES | O=C(O)C1C(O)C(O)C(O)C(O)C1Oc1c(-c2ccc(O)cc2)oc2cc(O)cc(O)c2c1=O |
|---|
| InChI Key | QPSHWEHQCVWLFF-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | phenylpropanoids and polyketides |
|---|
| Class | flavonoids |
|---|
| Subclass | hydroxyflavonoids |
|---|
| Direct Parent | 5-hydroxyflavonoids |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids4'-hydroxyflavonoids7-hydroxyflavonoidsalkyl aryl ethersbenzene and substituted derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidschromonescyclitols and derivativescyclohexanolsflavonoidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundspyranones and derivativesvinylogous acids |
|---|
| Substituents | monocyclic benzene moietycarbonyl groupethercarboxylic acid1-benzopyran1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativebeta-hydroxy acidorganic oxidechromonearomatic heteropolycyclic compoundpyranoneorganoheterocyclic compoundalcoholbenzopyranheteroaromatic compoundcyclohexanol5-hydroxyflavonoidcyclitol or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidcyclic alcoholoxacyclevinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundpyran7-hydroxyflavonoidsecondary alcohol4'-hydroxyflavonoidphenolhydrocarbon derivativebenzenoidorganooxygen compound |
|---|
