| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:52:42 UTC |
|---|
| Update Date | 2025-03-25 00:51:04 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02184609 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C18H26N2O7 |
|---|
| Molecular Mass | 382.174 |
|---|
| SMILES | NC(CCCc1ccc(CC(O)C(=O)O)cc1CCC(N)C(=O)O)C(=O)O |
|---|
| InChI Key | QZJNPLXLZIUTCV-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | phenylbutylamines |
|---|
| Direct Parent | phenylbutylamines |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alpha amino acidsalpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylpropanoic acidssecondary alcoholstricarboxylic acids and derivatives |
|---|
| Substituents | alcoholcarbonyl groupcarboxylic acid3-phenylpropanoic-acidalpha-hydroxy acidtricarboxylic acid or derivativesalpha-amino acid or derivativeshydroxy acidcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidephenylbutylamineorganic oxygen compoundorganonitrogen compoundalpha-amino acidsecondary alcoholorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
|---|
