| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:46 UTC |
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| Update Date | 2025-03-25 00:54:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02207577 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H23N3O |
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| Molecular Mass | 297.1841 |
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| SMILES | O=C(C1CCCN1)N1CCC(c2c[nH]c3ccccc23)CC1 |
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| InChI Key | VCODLHYOGRYWQU-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 derivativesdialkylaminesheteroaromatic compoundshydrocarbon derivativesindolesn-acylpiperidinesorganic oxidesorganopnictogen compoundspyrrolespyrrolidinecarboxamidestertiary carboxylic acid amides |
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| Substituents | carbonyl groupindoleorganic oxidearomatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidinepiperidineorganoheterocyclic compoundsecondary aliphatic aminealpha-amino acid amideazacycleheteroaromatic compoundindole or derivativessecondary aminecarboxamide groupn-acyl-piperidinepyrrolidine carboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundpyrrolidine-2-carboxamideorganooxygen compoundamine |
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