| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:36:13 UTC |
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| Update Date | 2025-03-21 17:57:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00006628 |
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| Frequency | 775.6 |
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| Structure | |
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| Chemical Formula | C11H16N2O |
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| Molecular Mass | 192.1263 |
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| SMILES | CCNCC(=O)Nc1ccccc1C |
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| InChI Key | IXDBFIUWHSYXQT-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 homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsanilidescarbonyl compoundscarboxylic acids and derivativesdialkylamineshydrocarbon derivativesn-arylamidesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidestoluenes |
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| Substituents | monocyclic benzene moietycarbonyl groupn-arylamideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundsecondary aliphatic aminealpha-amino acid amidesecondary aminecarboxamide grouparomatic homomonocyclic compoundanilidesecondary carboxylic acid amideorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundtolueneorganooxygen compoundamine |
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