| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:46 UTC |
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| Update Date | 2025-03-25 00:51:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02184762 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H18ClN5O3 |
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| Molecular Mass | 327.1098 |
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| SMILES | N=C(Nc1ccc(Cl)cc1)NC(CCCNC(N)=O)C(=O)O |
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| InChI Key | UTLYRPKDSIRYCN-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 | aryl chloridescarbonyl compoundscarboximidamidescarboxylic acidschlorobenzenesguanidineshydrocarbon derivativesiminesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganochloridesorganopnictogen compounds |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidguanidineimineorganochlorideorganohalogen compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundaryl chloridechlorobenzenecarbonic acid derivativecarboximidamidearyl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneorganooxygen compound |
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