| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:49:12 UTC |
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| Update Date | 2025-03-21 18:02:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00036648 |
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| Frequency | 96.4 |
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| Structure | |
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| Chemical Formula | C13H18N2O |
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| Molecular Mass | 218.1419 |
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| SMILES | Cc1cccc(C)c1NC(=O)C1CCCN1 |
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| InChI Key | ZPLMCERXQHDONG-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 | proline and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidsanilidesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdialkylamineshydrocarbon derivativesn-arylamidesorganic oxidesorganopnictogen compoundspyrrolidinecarboxamidessecondary carboxylic acid amidesm-xylenes |
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| Substituents | monocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compoundn-arylamidexyleneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compoundproline or derivativessecondary aliphatic aminealpha-amino acid amideazacyclem-xylenesecondary aminecarboxamide groupanilidesecondary carboxylic acid amidepyrrolidine carboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundpyrrolidine-2-carboxamideorganooxygen compoundamine |
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