| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:39:18 UTC |
|---|
| Update Date | 2025-03-25 00:46:15 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02154211 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C18H16O7 |
|---|
| Molecular Mass | 344.0896 |
|---|
| SMILES | COc1cc(OCC(=O)O)c2c(c1)OC(c1ccc(O)cc1)CC2=O |
|---|
| InChI Key | QTEBHRYAPNEFTE-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | phenylpropanoids and polyketides |
|---|
| Class | flavonoids |
|---|
| Subclass | o-methylated flavonoids |
|---|
| Direct Parent | 7-o-methylated flavonoids |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids4'-hydroxyflavonoidsalkyl aryl ethersanisolesaryl alkyl ketonescarboxylic acidschromonesflavanoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsphenoxyacetic acid derivatives |
|---|
| Substituents | phenol ethermonocyclic benzene moietyphenoxyacetatecarbonyl groupethercarboxylic acidaryl alkyl ketone1-benzopyranflavanoneflavan1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativeketoneorganic oxidechromonearomatic heteropolycyclic compoundchromaneorganoheterocyclic compoundbenzopyranoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundanisole4'-hydroxyflavonoidphenolhydrocarbon derivativebenzenoid7-methoxyflavonoid-skeletonorganooxygen compoundaryl ketone |
|---|
