| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:42 UTC |
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| Update Date | 2025-03-21 18:38:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00121632 |
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| Frequency | 21.3 |
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| Structure | |
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| Chemical Formula | C12H18N2O |
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| Molecular Mass | 206.1419 |
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| SMILES | CNCCC(=O)Nc1c(C)cccc1C |
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| InChI Key | MLBHZFMSVFEMOJ-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 | beta amino acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | anilidescarbonyl compoundscarboxylic acids and derivativesdialkylamineshydrocarbon derivativesn-arylamidesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidesm-xylenes |
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| Substituents | secondary aliphatic aminemonocyclic benzene moietycarbonyl groupm-xylenen-arylamidesecondary aminecarboxamide groupbeta amino acid or derivativesaromatic homomonocyclic compoundxyleneanilidesecondary carboxylic acid amideorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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