| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:22:38 UTC |
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| Update Date | 2025-03-21 18:37:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00116747 |
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| Frequency | 27.9 |
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| Structure | |
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| Chemical Formula | C12H22N4O2 |
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| Molecular Mass | 254.1743 |
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| SMILES | CC(C)C(NC(=O)C(N)Cc1c[nH]cn1)C(C)O |
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| InChI Key | YKNRLDWRGJTUQO-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 heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesfatty amidesheteroaromatic compoundshydrocarbon derivativesimidazolesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | fatty acylcarbonyl grouparomatic heteromonocyclic compoundfatty amideorganic oxideimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazolealcoholalpha-amino acid amideazacycleheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundsecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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