| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:16:18 UTC |
|---|
| Update Date | 2025-03-25 00:59:39 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02238494 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H13N2O3+ |
|---|
| Molecular Mass | 257.0921 |
|---|
| SMILES | O=C(O)C(O)C[n+]1ccc2c(c1)[nH]c1ccccc12 |
|---|
| InChI Key | RNMDBIRJKWXABR-UHFFFAOYSA-O |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | indoles and derivatives |
|---|
| Subclass | pyridoindoles |
|---|
| Direct Parent | beta carbolines |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | alpha hydroxy acids and derivativesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesindolesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinespyrrolessecondary alcohols |
|---|
| Substituents | carbonyl groupcarboxylic acidindolepolyhalopyridinealpha-hydroxy acidcarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundorganic cationalcoholazacycleheteroaromatic compoundhydroxypyridinehydroxy acidmonocarboxylic acid or derivativespyridineorganic oxygen compoundpyrrolesecondary alcoholbeta-carbolinehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
|---|
