| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:22 UTC |
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| Update Date | 2025-03-25 00:47:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02160981 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H17N3O2 |
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| Molecular Mass | 271.1321 |
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| SMILES | NC1CCC(=O)C(Cc2c[nH]c3ccccc23)NC1=O |
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| InChI Key | MNHGFDIQEGXECE-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 heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsazepanesbenzenoidscaprolactamscarboxylic acids and derivativescyclic ketonesheteroaromatic compoundshydrocarbon derivativesindolesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessecondary carboxylic acid amides |
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| Substituents | caprolactamcarbonyl grouplactamindolecyclic ketoneketoneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazacycleheteroaromatic compoundindole or derivativescarboxamide groupsecondary carboxylic acid amideazepaneorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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