| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:46:49 UTC |
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| Update Date | 2025-03-21 18:01:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00030880 |
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| Frequency | 120.0 |
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| Structure | |
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| Chemical Formula | C15H21N2O2+ |
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| Molecular Mass | 261.1598 |
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| SMILES | COC(=O)C(Cc1c[nH]c2ccccc12)[N+](C)(C)C |
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| InChI Key | UQBWDTIESGCUSG-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 compoundsfatty acid estersheteroaromatic compoundshydrocarbon derivativesindolesmethyl estersmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundspyrrolestetraalkylammonium salts |
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| Substituents | fatty acylcarbonyl groupindoleorganic oxidemethyl esteraromatic 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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