| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:10:56 UTC |
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| Update Date | 2025-03-21 18:31:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00088241 |
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| Frequency | 32.1 |
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| Structure | |
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| Chemical Formula | C12H17N3O2 |
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| Molecular Mass | 235.1321 |
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| SMILES | CC(=O)NCCCNC(=O)c1ccc(N)cc1 |
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| InChI Key | QSKRXZZAGTVTHX-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 | benzamides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acetamidesamino acids and derivativesbenzoyl derivativescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundsprimary aminessecondary carboxylic acid amides |
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| Substituents | carbonyl groupamino acid or derivativesbenzoylcarboxamide groupcarboxylic acid derivativebenzamidearomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamineacetamideorganooxygen compound |
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