| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:05:19 UTC |
|---|
| Update Date | 2025-03-25 00:55:41 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02213673 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H13NO5 |
|---|
| Molecular Mass | 263.0794 |
|---|
| SMILES | CN1c2cc3c(cc2C(O)C2COC(=O)C21)OCO3 |
|---|
| InChI Key | WPZXHYRWZWARAW-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | carboxylic acids and derivatives |
|---|
| Subclass | amino acids, peptides, and analogues |
|---|
| Direct Parent | alpha amino acid esters |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | acetalsalpha amino acidsazacyclic compoundsbenzenoidsbenzodioxolescarbonyl compoundscarboxylic acid estersdialkylarylaminesgamma butyrolactoneshydrocarbon derivativeshydroquinolinesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundssecondary alcoholstetrahydrofurans |
|---|
| Substituents | carbonyl grouplactoneorganic oxideacetalaromatic heteropolycyclic compoundtertiary aliphatic/aromatic amineorganonitrogen compoundalpha-amino acidorganopnictogen compounddialkylarylaminetetrahydroquinolinetertiary amineorganoheterocyclic compoundbenzodioxolealcoholalpha-amino acid esterazacycletetrahydrofurangamma butyrolactoneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
|---|
