| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:56:58 UTC |
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| Update Date | 2025-03-25 00:52:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02194261 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H18N4O3 |
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| Molecular Mass | 278.1379 |
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| SMILES | CN(CC(=O)Nc1ccc(CCC(=O)O)cc1)C(=N)N |
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| InChI Key | KTXDJYNABIKLFG-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | phenylpropanoic acids |
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| Subclass | phenylpropanoic acids |
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| Direct Parent | phenylpropanoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsanilidescarbonyl compoundscarboximidamidescarboxylic acidsguanidineshydrocarbon derivativesiminesmonocarboxylic acids and derivativesn-arylamidesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidguanidineiminen-arylamidealpha-amino acid or derivativescarboxylic acid derivativeorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundcarboximidamidecarboxamide grouparomatic homomonocyclic compoundanilidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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