| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:32 UTC |
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| Update Date | 2025-03-21 18:38:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00118917 |
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| Frequency | 21.9 |
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| Structure | |
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| Chemical Formula | C14H17N3O4 |
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| Molecular Mass | 291.1219 |
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| SMILES | N=C(NC(CC(=O)O)C(=O)O)N1CCc2ccccc2C1 |
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| InChI Key | RHABOFFTMMRINZ-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 heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboximidamidescarboxylic acidsdicarboxylic acids and derivativesguanidineshydrocarbon derivativesiminesorganic oxidesorganopnictogen compoundstetrahydroisoquinolines |
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| Substituents | carbonyl groupcarboxylic acidazacycleguanidineiminecarboximidamideorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundaspartic acid or derivativesorganonitrogen compoundtetrahydroisoquinolinealpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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