| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:08 UTC |
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| Update Date | 2025-03-25 00:46:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153825 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H16ClN5O2S |
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| Molecular Mass | 329.0713 |
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| SMILES | CSCC(NC(=N)NC(=N)Nc1ccc(Cl)cc1)C(=O)O |
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| InChI Key | CARSVFRWJYRDQU-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic nitrogen compounds |
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| Class | organonitrogen compounds |
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| Subclass | guanidines |
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| Direct Parent | 1-arylbiguanides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsaryl chloridescarbonyl compoundscarboximidamidescarboxylic acidschlorobenzenescysteine and derivativesdialkylthioethershydrocarbon derivativesiminesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganopnictogen compoundssulfenyl compounds |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidimineorganochloridealpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivativeorganohalogen compoundorganic oxidealpha-amino acidorganopnictogen compound1-arylbiguanidearyl chloridechlorobenzenesulfenyl compounddialkylthioethercarboximidamidearyl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundthioethercysteine or derivativeshydrocarbon derivativebenzenoidhalobenzeneorganooxygen compound |
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