| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:41 UTC |
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| Update Date | 2025-03-25 01:01:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02248660 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H10ClN3O4 |
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| Molecular Mass | 271.036 |
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| SMILES | N=C(NCC(=O)O)Nc1ccc(Cl)cc1C(=O)O |
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| InChI Key | SVTWWXHOUURJDE-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-carboxy-2-haloaromatic compounds3-halobenzoic acidsalpha amino acidsaryl chloridesbenzoic acidsbenzoyl derivativescarbonyl compoundscarboximidamideschlorobenzenesdicarboxylic acids and derivativesguanidineshalobenzoic acidshydrocarbon derivativesiminesorganic oxidesorganochloridesorganopnictogen compoundsvinylogous amides |
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| Substituents | carbonyl groupcarboxylic acidguanidine3-halobenzoic acid or derivativesimineorganochloridebenzoylalpha-amino acid or derivativescarboxylic acid derivativeorganohalogen compoundorganic oxide3-halobenzoic acidorganonitrogen compoundalpha-amino acidorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidaryl chloridechlorobenzenevinylogous amidehalobenzoic acidcarboximidamidehalobenzoic acid or derivativesaryl halidearomatic homomonocyclic compoundorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeguanidinobenzoic acid or derivativesorganic nitrogen compoundhalobenzeneorganooxygen compound |
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