| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:01 UTC |
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| Update Date | 2025-03-25 00:46:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02155881 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H22N3O3+ |
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| Molecular Mass | 280.1656 |
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| SMILES | C[N+](C)(C)CCNc1ccc(C(=O)NCC(=O)O)cc1 |
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| InChI Key | LMELVMGASLSXQI-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 | acyl glycines |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsbenzoyl derivativescarbonyl compoundscarboxylic acidshippuric acids and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundsphenylalkylaminessecondary alkylarylaminessecondary carboxylic acid amidestetraalkylammonium salts |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidamino acidbenzoylbenzamideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationorganic salttetraalkylammonium salthippuric acid or derivativesquaternary ammonium saltbenzoic acid or derivativessecondary aminecarboxamide groupn-acylglycinesecondary aliphatic/aromatic aminearomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundphenylalkylaminehydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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