| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:39:14 UTC |
|---|
| Update Date | 2025-03-25 00:46:13 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02154039 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C17H14N2O4 |
|---|
| Molecular Mass | 310.0954 |
|---|
| SMILES | COc1ccc2nccc(Nc3ccc(O)c(C(=O)O)c3)c2c1 |
|---|
| InChI Key | XHNAIWJNVXONHJ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | quinolines and derivatives |
|---|
| Subclass | quinolines and derivatives |
|---|
| Direct Parent | quinolines and derivatives |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoids2-halopyridinesalkyl aryl ethersamino acidsanisolesazacyclic compoundsbenzoic acidsbenzoyl derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspolyhalopyridinessalicylic acidssecondary aminesvinylogous acids |
|---|
| Substituents | phenol ethermonocyclic benzene moietyethercarboxylic acidamino acid or derivativesamino acidpolyhalopyridinebenzoyl1-hydroxy-2-unsubstituted benzenoidsalicylic acidalkyl aryl ethercarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundquinolineorganopnictogen compound1-carboxy-2-haloaromatic compound2-halopyridinebenzoic acidazacycleheteroaromatic compoundhydroxypyridinebenzoic acid or derivativesmethylpyridinesecondary aminehydroxybenzoic acidvinylogous acidmonocarboxylic acid or derivativespyridineorganic oxygen compoundsalicylic acid or derivativesanisolephenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
|---|
