| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:37:44 UTC |
|---|
| Update Date | 2025-03-25 00:45:40 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02150536 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C35H45N3O11 |
|---|
| Molecular Mass | 683.3054 |
|---|
| SMILES | CCC1=C(C)C(=O)NC1Cc1cc(CCC(=O)O)c(Cc2c(CCC(=O)O)cc(CCC(N)C(=O)O)c(CCC(=O)O)c2CCC(=O)O)[nH]1 |
|---|
| InChI Key | DOMUJWHYPGGGKE-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 heteromonocyclic compounds |
|---|
| Alternative Parents | alpha amino acidsazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeslactamsmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylpropanoic acidspyrrolespyrrolinessecondary carboxylic acid amides |
|---|
| Substituents | monocyclic benzene moietycarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acidalpha-amino acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazacycleheteroaromatic compoundcarboxamide grouppentacarboxylic acid or derivativessecondary carboxylic acid amideorganic oxygen compoundpyrrolinepyrrolehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
|---|
