| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:15:08 UTC |
|---|
| Update Date | 2025-03-25 00:59:14 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02235908 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C23H34O10 |
|---|
| Molecular Mass | 470.2152 |
|---|
| SMILES | COc1cc(CCCCCCCCCC(=O)O)ccc1OC1OC(C(=O)O)C(O)C(O)C1O |
|---|
| InChI Key | LJPOGRBQRGKVCT-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | lipids and lipid-like molecules |
|---|
| Class | saccharolipids |
|---|
| Subclass | saccharolipids |
|---|
| Direct Parent | saccharolipids |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | acetalsalkyl aryl ethersanisolesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesglucuronic acid derivativesheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmethoxybenzenesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidssecondary alcohols |
|---|
| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidglucuronic acid or derivativesaromatic heteromonocyclic compoundheterocyclic fatty acido-glucuronidemonosaccharidefatty acidalkyl aryl ethercarboxylic acid derivativepyran carboxylic acidmedium-chain hydroxy acid1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetalmedium-chain fatty acidhydroxy fatty acidoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acidmethoxybenzeneoxacycleorganic oxygen compoundpyrananisolesecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidphenoxy compoundsaccharolipidorganooxygen compound |
|---|
