| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:07 UTC |
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| Update Date | 2025-03-21 18:38:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00122657 |
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| Frequency | 21.1 |
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| Structure | |
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| Chemical Formula | C21H32N4O8 |
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| Molecular Mass | 468.222 |
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| SMILES | NC(CCc1cc(CCC(N)C(=O)O)c(CC(N)C(=O)O)cc1CCC(N)C(=O)O)C(=O)O |
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| InChI Key | DFLNTCINYRKGAA-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 | phenylalanine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsamphetamines and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylpropanoic acidstetracarboxylic acids and derivatives |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidtetracarboxylic acid or derivativesaromatic homomonocyclic compoundorganic oxidephenylalanine or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamphetamine or derivatives |
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