| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:05:37 UTC |
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| Update Date | 2025-03-21 18:29:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00075586 |
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| Frequency | 39.1 |
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| Structure | |
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| Chemical Formula | C14H18ClN2O2+ |
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| Molecular Mass | 281.1051 |
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| SMILES | C[N+](C)(C)C(Cc1c[nH]c2ccc(Cl)cc12)C(=O)O |
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| InChI Key | CWCJIFJCOQUVHP-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 acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | aminesaryl chloridesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganochloridesorganopnictogen compoundspyrrolestetraalkylammonium salts |
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| Substituents | carbonyl groupcarboxylic acidindoleorganochlorideorganohalogen compoundorganic oxidearomatic heteropolycyclic compoundalpha-amino acidorganonitrogen compoundorganopnictogen compoundorganic cationorganic saltorganoheterocyclic compoundaryl chloridetetraalkylammonium saltazacyclequaternary ammonium saltheteroaromatic compoundindole or derivativesaryl halidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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