| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:28:19 UTC |
|---|
| Update Date | 2025-03-21 18:40:27 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00130203 |
|---|
| Frequency | 19.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C23H22O12 |
|---|
| Molecular Mass | 490.1111 |
|---|
| SMILES | COc1ccc(C2CC(=O)c3cc(O)cc(O)c3C2=O)cc1OC1OC(C(=O)O)C(O)C(O)C1O |
|---|
| InChI Key | VJRJKKRAZFPGTC-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | naphthalenes |
|---|
| Subclass | phenylnaphthalenes |
|---|
| Direct Parent | phenylnaphthalenes |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsalkyl aryl ethersanisolesaryl alkyl ketonesbeta hydroxy acids and derivativescarboxylic acidsglucuronic acid derivativeshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesmonosaccharidesnaphthoquinoneso-glucuronidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidsquinonessecondary alcoholstetralinsvinylogous acids |
|---|
| Substituents | tetralinphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaryl alkyl ketoneglucuronic acid or derivativeso-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acidketone1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetalaromatic heteropolycyclic compoundoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidmethoxybenzeneoxacyclevinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundpyranphenylnaphthaleneanisolesecondary alcoholhydrocarbon derivativephenoxy compoundnaphthoquinoneorganooxygen compoundaryl ketonequinone |
|---|
