| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:16 UTC |
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| Update Date | 2025-03-25 00:45:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02151735 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H10ClN5O2 |
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| Molecular Mass | 255.0523 |
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| SMILES | N=C(N)NC(=N)Nc1ccc(Cl)cc1C(=O)O |
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| InChI Key | RJJYYVJOVFVLEO-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | guanidinobenzoic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-arylbiguanides1-carboxy-2-haloaromatic compounds3-halobenzoic acidsaryl chloridesbenzoic acidsbenzoyl derivativescarboximidamideschlorobenzeneshalobenzoic acidshydrocarbon derivativesiminesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganooxygen compoundsorganopnictogen compoundsvinylogous amides |
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| Substituents | carboxylic acidguanidine3-halobenzoic acid or derivativesimineorganochloridebenzoylcarboxylic acid derivativeorganohalogen compoundorganic oxide3-halobenzoic acidorganonitrogen compoundorganopnictogen compound1-arylbiguanide1-carboxy-2-haloaromatic compoundbenzoic acidaryl chloridechlorobenzenevinylogous amidehalobenzoic acidcarboximidamidehalobenzoic acid or derivativesaryl halidearomatic homomonocyclic compoundarylbiguanidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeguanidinobenzoic acid or derivativesorganic nitrogen compoundbiguanidehalobenzeneorganooxygen compound |
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