| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:52:04 UTC |
|---|
| Update Date | 2025-03-25 00:50:48 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02183201 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C18H19NO9 |
|---|
| Molecular Mass | 393.106 |
|---|
| SMILES | O=C(OC1OC(C(=O)O)C(O)C(O)C1O)c1ccccc1NCc1ccco1 |
|---|
| InChI Key | QYKLJRQBXAJPSY-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbohydrates and carbohydrate conjugates |
|---|
| Direct Parent | o-glucuronides |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | acetalsamino acidsbenzoic acid estersbenzoyl derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesfuransglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesphenylalkylaminespyran carboxylic acidssecondary alcoholssecondary alkylarylaminesvinylogous amides |
|---|
| Substituents | furanmonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidbenzoylo-glucuronidemonosaccharidebenzoate estercarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compoundalcoholvinylogous amidepyran carboxylic acid or derivativesheteroaromatic compoundbenzoic acid or derivativeshydroxy acidsecondary aminesecondary aliphatic/aromatic amineoxacyclepyrancarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenylalkylaminehydrocarbon derivativebenzenoidorganic nitrogen compoundamine |
|---|
