| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:09:15 UTC |
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| Update Date | 2025-03-21 18:31:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00084336 |
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| Frequency | 34.0 |
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| Structure | |
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| Chemical Formula | C13H20NO2+ |
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| Molecular Mass | 222.1489 |
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| SMILES | COC(=O)C(Cc1ccccc1)[N+](C)(C)C |
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| InChI Key | CKZAAENSUAZTEJ-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 | phenylalanine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acid estersalpha amino acidsaminesamphetamines and derivativesbenzene and substituted derivativescarbonyl compoundsfatty acid estershydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundstetraalkylammonium salts |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl grouporganic oxidemethyl esterorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationorganic saltamphetamine or derivativestetraalkylammonium saltalpha-amino acid esterquaternary ammonium saltaromatic homomonocyclic compoundfatty acid estermonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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