| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:36 UTC |
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| Update Date | 2025-03-25 01:01:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02248486 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H19N3O4 |
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| Molecular Mass | 293.1376 |
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| SMILES | N=C(N)Cc1ccc(OCCCC(O)=NCC(=O)O)cc1 |
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| InChI Key | IABHQHDPPBNSGU-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 | alpha amino acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersamidinescarbonyl compoundscarboximidamidescarboximidic acidscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenol ethersphenoxy compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | phenol ethercarboximidic acidmonocyclic benzene moietycarbonyl groupethercarboxylic acidamidinealkyl aryl etherpropargyl-type 1,3-dipolar organic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic 1,3-dipolar compoundcarboximidamidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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