| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:33 UTC |
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| Update Date | 2025-03-21 18:39:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00123603 |
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| Frequency | 20.8 |
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| Structure | |
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| Chemical Formula | C13H20N2O |
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| Molecular Mass | 220.1576 |
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| SMILES | CCNC(C)C(=O)Nc1c(C)cccc1C |
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| InChI Key | XTCQSOPWSIBRDQ-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 | alanine and derivativesalpha amino acidsanilidescarbonyl compoundscarboxylic acids and derivativesdialkylamineshydrocarbon derivativesn-arylamidesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidesm-xylenes |
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| Substituents | monocyclic benzene moietycarbonyl groupn-arylamidexyleneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundsecondary aliphatic aminealpha-amino acid amidem-xylenesecondary aminecarboxamide grouparomatic homomonocyclic compoundanilidesecondary carboxylic acid amideorganic oxygen compoundalanine or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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