| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:35 UTC |
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| Update Date | 2025-03-25 00:48:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02168341 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H21N3O3 |
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| Molecular Mass | 279.1583 |
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| SMILES | CC(C)C(N)C(=O)NNC(Cc1ccccc1)C(=O)O |
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| InChI Key | VGIIPMLYCSJTEY-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 acid hydrazidescarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylpropanoic acidsvaline and derivatives |
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| Substituents | monocyclic benzene moietycarboxylic acid hydrazidecarbonyl groupcarboxylic acid3-phenylpropanoic-acidvaline or derivativesaromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamphetamine or derivatives |
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