| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:29 UTC |
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| Update Date | 2025-03-25 00:45:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02149930 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H27N3O |
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| Molecular Mass | 301.2154 |
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| SMILES | O=C(NC(Cc1ccccc1)C1CCCCN1)C1CCCN1 |
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| InChI Key | YKLNUMAIPGSQPC-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 acidsamphetamines and derivativesazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acids and derivativesdialkylamineshydrocarbon derivativesorganic oxidesorganopnictogen compoundspiperidinespyrrolidinecarboxamidessecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidinepiperidineorganoheterocyclic compoundamphetamine or derivativesproline or derivativessecondary aliphatic aminealpha-amino acid amideazacyclesecondary aminecarboxamide groupsecondary carboxylic acid amidepyrrolidine carboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundpyrrolidine-2-carboxamideorganooxygen compoundamine |
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