| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:03 UTC |
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| Update Date | 2025-03-25 00:58:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02233376 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H8N2O |
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| Molecular Mass | 124.0637 |
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| SMILES | O=C1NC2=NC1CCC2 |
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| InChI Key | KMHJDZCYZGWZQW-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 | aliphatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsazepanescaprolactamscarbonyl compoundscarboximidamidescarboxylic acids and derivativeshydrocarbon derivativesimidazolinonesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundstetrahydropyridines |
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| Substituents | caprolactamcarbonyl grouplactampropargyl-type 1,3-dipolar organic compoundaliphatic heteropolycyclic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundimidazolinoneorganoheterocyclic compoundazacycletetrahydropyridineorganic 1,3-dipolar compoundcarboximidamideazepaneorganic oxygen compound2-imidazolineimidazolinehydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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