| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:04:25 UTC |
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| Update Date | 2025-03-21 18:28:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00072741 |
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| Frequency | 41.0 |
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| Structure | |
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| Chemical Formula | C12H19N2O3+ |
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| Molecular Mass | 239.139 |
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| SMILES | CC(Cc1ccc(O)c([N+](=O)[O-])c1)[N+](C)(C)C |
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| InChI Key | PMULDQCZQXMRRC-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 | 1-hydroxy-2-unsubstituted benzenoidsamineshydrocarbon derivativesnitroaromatic compoundsnitrobenzenesnitrophenolsorganic cationsorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganic saltsorganooxygen compoundsorganopnictogen compoundsphenylpropanestetraalkylammonium salts |
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| Substituents | 1-hydroxy-2-unsubstituted benzenoidorganic nitro compoundphenylpropaneorganic oxidec-nitro compoundorganonitrogen compoundorganopnictogen compoundorganic cationorganic oxoazaniumorganic saltnitrophenolamphetamine or derivativesnitrobenzenenitroaromatic compoundtetraalkylammonium saltquaternary ammonium saltaromatic homomonocyclic compoundorganic oxygen compoundphenolhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compoundorganic hyponitrite |
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