| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:04 UTC |
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| Update Date | 2025-03-25 00:57:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02222320 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H8N4O |
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| Molecular Mass | 152.0698 |
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| SMILES | O=C1CCNc2[nH]cnc2N1 |
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| InChI Key | HPYBVLJXGRMCSY-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | beta amino acids and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,4-diazepinesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamslactamsorganic oxidesorganopnictogen compoundssecondary alkylarylaminessecondary carboxylic acid amides |
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| Substituents | carbonyl grouplactamorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundimidolactamorganoheterocyclic compoundazoleazacycleheteroaromatic compoundsecondary aminecarboxamide groupbeta amino acid or derivativessecondary aliphatic/aromatic aminesecondary carboxylic acid amidepara-diazepineorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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