| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:23:04 UTC |
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| Update Date | 2025-03-25 01:02:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02254034 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H12N4O3 |
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| Molecular Mass | 212.0909 |
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| SMILES | CC(CNc1cc(=O)[nH]c(N)n1)C(=O)O |
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| InChI Key | OUDVXYKPCZKQDP-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 heteromonocyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidolactamslactamsmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary aminespyrimidonessecondary alkylarylaminesvinylogous amides |
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| Substituents | carbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundamino acidpyrimidonepyrimidineorganic oxideorganonitrogen compoundorganopnictogen compoundimidolactamorganoheterocyclic compoundvinylogous amideazacycleheteroaromatic compoundsecondary aminebeta amino acid or derivativessecondary aliphatic/aromatic aminemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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