| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:58:06 UTC |
|---|
| Update Date | 2025-03-21 18:05:35 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00057679 |
|---|
| Frequency | 55.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C30H31N3O10 |
|---|
| Molecular Mass | 593.2009 |
|---|
| SMILES | CC1=C(CCC(=O)O)c2cc3[nH]c(cc4[nH]c(cc1n2)c(CCC(=O)O)c4CCC(=O)O)c(CCC(=O)O)c3CC(=O)O |
|---|
| InChI Key | OXBTZXYPFAYTSW-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | carboxylic acids and derivatives |
|---|
| Subclass | pentacarboxylic acids and derivatives |
|---|
| Direct Parent | pentacarboxylic acids and derivatives |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrroles |
|---|
| Substituents | carbonyl groupcarboxylic acidazacycleheteroaromatic compoundpentacarboxylic acid or derivativesorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
|---|
