| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:46:06 UTC |
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| Update Date | 2025-03-21 18:00:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00029216 |
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| Frequency | 128.1 |
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| Structure | |
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| Chemical Formula | C16H22N3O3+ |
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| Molecular Mass | 304.1656 |
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| SMILES | C[N+](C)(C)C(Cc1c[nH]c2ccccc12)C(=O)NCC(=O)O |
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| InChI Key | PEUDEMVMEFGHRX-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 | acyl glycines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidsaminesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdipeptidesfatty amidesheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundspyrrolessecondary carboxylic acid amidestetraalkylammonium salts |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidindolefatty amideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationorganic saltorganoheterocyclic compoundalpha-amino acid amidetetraalkylammonium saltazacyclequaternary ammonium saltheteroaromatic compoundindole or derivativescarboxamide groupn-acylglycinealpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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