| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:16 UTC |
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| Update Date | 2025-03-25 01:01:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02250000 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H19N2O4+ |
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| Molecular Mass | 267.1339 |
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| SMILES | C[N+](C)(C)C(CC(=O)O)Cc1ccc([N+](=O)[O-])cc1 |
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| InChI Key | CNIAPEIRANTMJI-UHFFFAOYSA-O |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | phenethylamines |
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| Direct Parent | amphetamines and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aminescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesnitroaromatic compoundsnitrobenzenesorganic cationsorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganic saltsorganopnictogen compoundstetraalkylammonium salts |
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| Substituents | carbonyl groupcarboxylic acidcarboxylic acid derivativeorganic nitro compoundorganic oxidec-nitro compoundorganonitrogen compoundorganopnictogen compoundorganic cationorganic oxoazaniumorganic saltamphetamine or derivativesnitrobenzenenitroaromatic compoundtetraalkylammonium saltquaternary ammonium saltaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compoundorganic hyponitrite |
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