| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:34 UTC |
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| Update Date | 2025-03-21 18:36:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00111713 |
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| Frequency | 30.7 |
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| Structure | |
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| Chemical Formula | C14H15N3O4 |
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| Molecular Mass | 289.1063 |
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| SMILES | N=C(Cc1c[nH]c2ccccc12)NC(CC(=O)O)C(=O)O |
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| InChI Key | KNAZPYJZVPFEPI-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 acidsamidinesazacyclic compoundsbenzenoidscarbonyl compoundscarboximidamidescarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesindolesorganic oxidesorganopnictogen compoundspyrroles |
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| Substituents | carbonyl groupcarboxylic acidindoleamidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazacycleheteroaromatic compoundindole or derivativescarboximidamideorganic oxygen compoundpyrroleaspartic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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