| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:03 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 | DMID02155919 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H21N2O4+ |
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| Molecular Mass | 269.1496 |
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| SMILES | C[N+](C)(C)C(Cc1[nH]ccc1CCC(=O)O)C(=O)O |
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| InChI Key | URKDHWHTXOXHFY-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 heteromonocyclic compounds |
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| Alternative Parents | aminesazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundspyrrolestetraalkylammonium salts |
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| Substituents | carbonyl groupcarboxylic acidtetraalkylammonium saltaromatic heteromonocyclic compoundazacyclequaternary ammonium saltheteroaromatic compoundorganic oxideorganic oxygen compoundpyrrolealpha-amino acidorganonitrogen compounddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationorganic saltamineorganoheterocyclic compoundorganooxygen compound |
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