| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:19:04 UTC |
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| Update Date | 2025-03-21 18:35:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00108067 |
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| Frequency | 24.8 |
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| Structure | |
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| Chemical Formula | C16H23N2O2+ |
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| Molecular Mass | 275.1754 |
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| SMILES | CCOC(=O)C(Cc1c[nH]c2ccccc12)[N+](C)(C)C |
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| InChI Key | HQIWNECZENDWLA-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 esters |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsaminesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acid estersfatty acid estersheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundspyrrolestetraalkylammonium salts |
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| Substituents | fatty acylcarbonyl groupindoleorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationorganic saltorganoheterocyclic compoundtetraalkylammonium saltalpha-amino acid esterazacyclequaternary ammonium saltheteroaromatic compoundindole or derivativesfatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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