| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:07:10 UTC |
|---|
| Update Date | 2025-03-25 00:56:22 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02217918 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C16H13ClO6 |
|---|
| Molecular Mass | 336.0401 |
|---|
| SMILES | COc1cc(C2Oc3cc(O)c(Cl)cc3C(=O)C2O)ccc1O |
|---|
| InChI Key | QZWOMQHZTRIQDN-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | phenylpropanoids and polyketides |
|---|
| Class | flavonoids |
|---|
| Subclass | o-methylated flavonoids |
|---|
| Direct Parent | 3'-o-methylated flavonoids |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids3-hydroxyflavonoids4'-hydroxyflavonoids7-hydroxyflavonoidsalkyl aryl ethersanisolesaryl alkyl ketonesaryl chlorideschromonesflavanonolshydrocarbon derivativesmethoxybenzenesmethoxyphenolsorganic oxidesorganochloridesoxacyclic compoundsphenoxy compoundssecondary alcohols |
|---|
| Substituents | phenol ethermonocyclic benzene moiety3-hydroxyflavonoidetheraryl alkyl ketone1-benzopyranflavanoneflavanorganochloride1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherorganohalogen compoundketoneorganic oxidechromonearomatic heteropolycyclic compoundchromaneorganoheterocyclic compoundaryl chloridealcoholbenzopyranflavanonolmethoxybenzene3p-methoxyflavonoid-skeletonaryl halideoxacycleorganic oxygen compoundanisole7-hydroxyflavonoidsecondary alcohol4'-hydroxyflavonoidphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compoundaryl ketone |
|---|
