| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:08:02 UTC |
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| Update Date | 2025-03-21 18:30:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00081503 |
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| Frequency | 35.5 |
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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(NCCCC(O)C(=O)O)NC(=N)Nc1ccc(Cl)cc1 |
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| InChI Key | PNMYWFMQSBBNQQ-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 | delta amino acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-arylbiguanidesalpha hydroxy acids and derivativesaryl chloridescarbonyl compoundscarboximidamidescarboxylic acidschlorobenzeneshydrocarbon derivativesiminesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganochloridesorganopnictogen compoundssecondary alcohols |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidguanidineimineorganochloridealpha-hydroxy acidmonosaccharideorganohalogen compoundsaccharideorganic oxideorganonitrogen compoundorganopnictogen compounddelta amino acid or derivatives1-arylbiguanidearyl chloridechlorobenzenealcoholcarboximidamidehydroxy acidaryl halidearomatic homomonocyclic compoundarylbiguanidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundbiguanidehalobenzeneorganooxygen compound |
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