| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:49 UTC |
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| Update Date | 2025-03-25 00:46:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153036 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H9N3O3 |
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| Molecular Mass | 195.0644 |
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| SMILES | NC(=O)Nc1cc(C(=O)O)ccc1N |
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| InChI Key | PWJPERLPCJQAOY-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 | n-phenylureas |
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| Direct Parent | n-phenylureas |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | amino acidsbenzoic acidsbenzoyl derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundsprimary amines |
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| Substituents | carbonyl groupcarbonic acid derivativecarboxylic acidamino acid or derivativesamino acidbenzoylbenzoic acid or derivativescarboxylic acid derivativearomatic homomonocyclic compoundn-phenylureaorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundbenzoic acidamineorganooxygen compound |
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