| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:23 UTC |
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| Update Date | 2025-03-21 18:39:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00127988 |
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| Frequency | 28.9 |
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| Structure | |
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| Chemical Formula | C8H9N3O |
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| Molecular Mass | 163.0746 |
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| SMILES | O=C1CNC(c2cccnc2)N1 |
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| InChI Key | ZICHTCFGFCONKW-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 | alpha amino acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdialkylaminesheteroaromatic compoundshydrocarbon derivativesimidazolidinoneslactamsorganic oxidesorganopnictogen compoundspyridines and derivativessecondary carboxylic acid amides |
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| Substituents | imidazolidinecarbonyl grouplactamaromatic heteromonocyclic compoundimidazolidinoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundsecondary aliphatic amineazacycleheteroaromatic compoundsecondary aminecarboxamide groupsecondary carboxylic acid amidepyridineorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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