| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:19:03 UTC |
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| Update Date | 2025-03-25 01:00:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02244905 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H15N2O7P |
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| Molecular Mass | 318.0617 |
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| SMILES | CCOP(=O)(NC(C)C(=O)O)Oc1ccc([N+](=O)[O-])cc1 |
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| InChI Key | QWHNEFFODUZDTK-UHFFFAOYSA-N |
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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 | alanine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesnitroaromatic compoundsnitrobenzenesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganic phosphoramidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundsphosphoric diester monoamidespropargyl-type 1,3-dipolar organic compounds |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidallyl-type 1,3-dipolar organic compoundorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidec-nitro compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic oxoazaniumphosphoric diester monoamideorganic phosphoric acid amidenitrobenzenenitroaromatic compoundorganic 1,3-dipolar compoundaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundphosphoric acid esteralanine or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganic phosphoric acid derivativeorganooxygen compoundorganic hyponitrite |
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