| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:40 UTC |
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| Update Date | 2025-03-25 00:51:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02186873 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H17N3O2 |
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| Molecular Mass | 223.1321 |
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| SMILES | NCCOc1ccc(CC(N)C(N)=O)cc1 |
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| InChI Key | KNCXISWDAYFAPY-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 | phenylalanine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersalpha amino acidsamphetamines and derivativescarbonyl compoundscarboxylic acids and derivativesfatty amideshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundsprimary carboxylic acid amides |
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| Substituents | primary carboxylic acid amidefatty acylphenol ethermonocyclic benzene moietycarbonyl groupetherfatty amidealkyl aryl etherorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativescarboxamide grouparomatic homomonocyclic compoundphenylalanine or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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