| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:41 UTC |
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| Update Date | 2025-03-25 00:46:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02157322 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H10N2O |
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| Molecular Mass | 174.0793 |
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| SMILES | O=C1Nc2ccccc2N2CCC12 |
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| InChI Key | NPCUJEZPFNNWTL-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 acid amides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundsazetidinesbenzenoidscarbonyl compoundscarboxylic acids and derivativesdialkylarylamineshydrocarbon derivativeslactamsorganic oxidesorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | carbonyl grouplactamorganic oxidearomatic heteropolycyclic compoundtertiary aliphatic/aromatic amineorganonitrogen compoundalpha-amino acidorganopnictogen compounddialkylarylaminetertiary amineorganoheterocyclic compoundalpha-amino acid amideazacyclecarboxamide groupazetidinesecondary carboxylic acid amideorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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