| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:51 UTC |
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| Update Date | 2025-03-25 00:50:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180459 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H23N2O3+ |
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| Molecular Mass | 291.1703 |
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| SMILES | C[N+](C)(C)C(Cc1ccccc1)C(=O)N1CCC1C(=O)O |
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| InChI Key | IXOSEXMIWRHPGR-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 | dipeptides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsaminesamphetamines and derivativesazacyclic compoundsazetidinecarboxylic acidsazetidinesbenzene and substituted derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundstertiary carboxylic acid amidestetraalkylammonium salts |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundazetidinecarboxylic acidalpha-amino acid or derivativesorganic oxidetertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationorganic saltorganoheterocyclic compoundamphetamine or derivativestetraalkylammonium saltazacyclequaternary ammonium saltcarboxamide groupazetidinealpha-dipeptidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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