| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:25 UTC |
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| Update Date | 2025-03-21 18:39:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00128037 |
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| Frequency | 19.9 |
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| Structure | |
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| Chemical Formula | C13H16N2O |
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| Molecular Mass | 216.1263 |
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| SMILES | O=C(C1CCCN1)N1CCc2ccccc21 |
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| InChI Key | DHGXXNNPGNHFHF-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 derivativesindolesorganic oxidesorganopnictogen compoundspyrrolidinecarboxamidestertiary carboxylic acid amides |
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| Substituents | carbonyl groupindoleorganic oxidearomatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compoundsecondary aliphatic aminealpha-amino acid amideazacycleindole or derivativessecondary aminecarboxamide grouppyrrolidine carboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundpyrrolidine-2-carboxamideorganooxygen compoundamine |
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