| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:04:49 UTC |
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| Update Date | 2025-03-21 18:28:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00073727 |
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| Frequency | 40.4 |
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| Structure | |
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| Chemical Formula | C13H20N2O2 |
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| Molecular Mass | 236.1525 |
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| SMILES | CCN(CC)CC(=O)Nc1c(C)cccc1O |
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| InChI Key | WHVHUZNXUVYXHJ-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 | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalpha amino acidsanilidescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesmeta cresolsn-arylamidesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidestoluenestrialkylamines |
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| Substituents | monocyclic benzene moietycarbonyl group1-hydroxy-2-unsubstituted benzenoidn-arylamideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundtertiary aminealpha-amino acid amidem-cresoltertiary aliphatic amine1-hydroxy-4-unsubstituted benzenoidcarboxamide grouparomatic homomonocyclic compoundanilidesecondary carboxylic acid amideorganic oxygen compoundphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundtolueneamineorganooxygen compound |
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