| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:42:15 UTC |
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| Update Date | 2025-03-21 17:59:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00020345 |
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| Frequency | 199.2 |
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| Structure | |
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| Chemical Formula | C12H17N2O5+ |
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| Molecular Mass | 269.1132 |
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| SMILES | C[N+](C)(C)C(Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)O |
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| InChI Key | QAZOIPQSTHFCJK-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 | tyrosine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acidsaminesamphetamines and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesnitroaromatic compoundsnitrobenzenesnitrophenolsorganic cationsorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganic saltsorganopnictogen compoundsphenylalanine and derivativesphenylpropanoic acidstetraalkylammonium salts |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acid1-hydroxy-2-unsubstituted benzenoidorganic nitro compoundorganic oxidec-nitro compoundalpha-amino acidorganonitrogen compoundorganopnictogen compoundorganic cationorganic oxoazaniumorganic saltnitrophenolamphetamine or derivativesnitrobenzenenitroaromatic compoundtyrosine or derivativestetraalkylammonium saltquaternary ammonium saltaromatic homomonocyclic compoundmonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compoundorganic hyponitrite |
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