Record Information |
---|
HMDB Status | Not Available |
---|
Creation Date | 2024-02-21 14:55:36 UTC |
---|
Update Date | 2025-03-25 00:52:03 UTC |
---|
HMDB ID | Not Available |
---|
Metabolite Identification |
---|
DeepMet ID | DMID02191227 |
---|
Frequency | 0.5 |
---|
Structure | |
---|
Chemical Formula | C19H23NO10 |
---|
Molecular Mass | 425.1322 |
---|
SMILES | CC(=O)NC1C(O)CC(Oc2cc(CC3CCC(=O)O3)cc(O)c2O)OC1C(=O)O |
---|
InChI Key | NQSAANVDIWKIKO-UHFFFAOYSA-N |
---|
Chemical Taxonomy |
---|
Kingdom | organic compounds |
---|
Superclass | organoheterocyclic compounds |
---|
Class | pyrans |
---|
Subclass | pyran carboxylic acids and derivatives |
---|
Direct Parent | pyran carboxylic acids |
---|
Geometric Descriptor | aromatic heteromonocyclic compounds |
---|
Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsacetamidescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesgamma butyrolactoneshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenol ethersphenoxy compoundssecondary alcoholssecondary carboxylic acid amidestetrahydrofurans |
---|
Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativelactoneorganic oxideacetalorganonitrogen compoundorganopnictogen compoundoxaneacetamidealcoholpyran carboxylic acid or derivativestetrahydrofuran1-hydroxy-4-unsubstituted benzenoidcarboxamide groupgamma butyrolactoneoxacyclesecondary carboxylic acid amideorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compound |
---|