| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:58 UTC |
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| Update Date | 2025-03-25 00:49:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02171509 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H20N2O7 |
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| Molecular Mass | 352.1271 |
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| SMILES | CN(C)CCOC(=O)c1ccccc1C(=O)NC(CC(=O)O)C(=O)O |
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| InChI Key | BQTZJNSXLKCOIA-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | aspartic acid and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsbenzoic acid estersbenzoyl derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidshippuric acids and derivativeshydrocarbon derivativesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidestrialkylaminestricarboxylic acids and derivatives |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidamino acidbenzoyltricarboxylic acid or derivativesbenzoate esterbenzamideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundtertiary aminen-acyl-alpha amino acid or derivativesn-acyl-alpha-amino acidhippuric acid or derivativestertiary aliphatic aminebenzoic acid or derivativescarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxygen compoundcarboxylic acid esteraspartic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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