| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:00:43 UTC |
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| Update Date | 2025-03-21 18:06:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00063841 |
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| Frequency | 48.3 |
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| Structure | |
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| Chemical Formula | C22H34N4O8 |
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| Molecular Mass | 482.2377 |
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| SMILES | NC(CCCc1c(CCC(N)C(=O)O)cc(CC(N)C(=O)O)cc1CCC(N)C(=O)O)C(=O)O |
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| InChI Key | VLJLEFXFOZOOKS-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 derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylbutylaminesphenylpropanoic acidstetracarboxylic acids and derivatives |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidtetracarboxylic acid or derivativesaromatic homomonocyclic compoundorganic oxidephenylbutylaminephenylalanine or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamphetamine or derivatives |
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