| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:44:14 UTC |
|---|
| Update Date | 2025-03-25 00:47:59 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02165299 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C17H20O9 |
|---|
| Molecular Mass | 368.1107 |
|---|
| SMILES | CC1OC(Oc2cc(CC3CCC(=O)O3)ccc2O)OC(C(=O)O)C1O |
|---|
| InChI Key | JMTUOTUQRMAQIA-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | phenol ethers |
|---|
| Subclass | phenol ethers |
|---|
| Direct Parent | phenol ethers |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 1,3-dioxanes1-hydroxy-2-unsubstituted benzenoidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acid orthoesterscarboxylic acidsdicarboxylic acids and derivativesgamma butyrolactoneshydrocarbon derivativesorganic oxidesortho estersoxacyclic compoundsphenoxy compoundssecondary alcoholstetrahydrofurans |
|---|
| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundortho ester1-hydroxy-2-unsubstituted benzenoidcarboxylic acid orthoestercarboxylic acid derivativelactonebeta-hydroxy acidorganic oxideorthocarboxylic acid derivativeorganoheterocyclic compoundalcoholtetrahydrofuranhydroxy acidgamma butyrolactoneoxacycleorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativephenoxy compoundmeta-dioxaneorganooxygen compound |
|---|
