| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:57:55 UTC |
|---|
| Update Date | 2025-03-25 00:52:51 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02196427 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C39H53N3O9 |
|---|
| Molecular Mass | 707.3782 |
|---|
| SMILES | CCC1=C(C)C(=O)NC1Cc1[nH]c(Cc2[nH]c(CC3C(CCC(=O)O)=C(C)C(CCC(=O)O)C3C)c(C)c2CCC(=O)O)c(CCC(=O)O)c1C |
|---|
| InChI Key | SABSQJLIGOQDRR-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | carboxylic acids and derivatives |
|---|
| Subclass | tetracarboxylic acids and derivatives |
|---|
| Direct Parent | tetracarboxylic acids and derivatives |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | aromatic monoterpenoidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesiridoids and derivativeslactamsmonocyclic monoterpenoidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolespyrrolinessecondary carboxylic acid amides |
|---|
| Substituents | monoterpenoidcarbonyl groupmonocyclic monoterpenoidlactamcarboxylic acidaromatic heteromonocyclic compoundorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazacycleheteroaromatic compoundtetracarboxylic acid or derivativescarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundpyrrolinepyrrolehydrocarbon derivativeorganic nitrogen compound11-noriridane monoterpenoidorganooxygen compoundaromatic monoterpenoid |
|---|
