| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:58:05 UTC |
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| Update Date | 2025-03-21 18:05:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00057611 |
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| Frequency | 55.0 |
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| Structure | |
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| Chemical Formula | C14H20N3O+ |
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| Molecular Mass | 246.1601 |
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| SMILES | C[N+](C)(C)C(Cc1c[nH]c2ccccc12)C(N)=O |
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| InChI Key | WCNNUVUBBUDZOP-UHFFFAOYSA-O |
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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 acidsaminesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acids and derivativesfatty amidesheteroaromatic compoundshydrocarbon derivativesindolesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundsprimary carboxylic acid amidespyrrolestetraalkylammonium salts |
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| Substituents | primary carboxylic acid amidefatty acylcarbonyl groupindolefatty amideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationorganic saltorganoheterocyclic compoundalpha-amino acid amidetetraalkylammonium saltazacyclequaternary ammonium saltheteroaromatic compoundindole or derivativescarboxamide grouporganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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