| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:21 UTC |
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| Update Date | 2025-03-21 18:41:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00134863 |
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| Frequency | 18.6 |
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| Structure | |
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| Chemical Formula | C12H16N2O |
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| Molecular Mass | 204.1263 |
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| SMILES | CNCC(=O)N1CCc2ccccc2C1 |
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| InChI Key | VJSLJDYGPIFKRB-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 heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acids and derivativesdialkylamineshydrocarbon derivativesorganic oxidesorganopnictogen compoundstertiary carboxylic acid amidestetrahydroisoquinolines |
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| Substituents | secondary aliphatic aminecarbonyl groupalpha-amino acid amideazacyclesecondary aminecarboxamide grouporganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundtetrahydroisoquinolinealpha-amino acidorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compoundamine |
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