| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:41 UTC |
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| Update Date | 2025-03-21 18:33:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00097289 |
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| Frequency | 28.3 |
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| Structure | |
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| Chemical Formula | C9H7NO5 |
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| Molecular Mass | 209.0324 |
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| SMILES | O=C(O)C(=O)Cc1cccc([N+](=O)[O-])c1 |
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| InChI Key | JTJJIPVJAFWSBS-UHFFFAOYSA-N |
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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 | phenylpyruvic acid derivatives |
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| Direct Parent | phenylpyruvic acid derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha-hydroxy ketonesalpha-keto acids and derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesnitroaromatic compoundsnitrobenzenesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundsphenylpropanoic acidspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | carbonyl groupcarboxylic acid3-phenylpropanoic-acidallyl-type 1,3-dipolar organic compoundalpha-hydroxy ketonecarboxylic acid derivativeorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundketoneorganic oxidec-nitro compoundorganonitrogen compoundalpha-keto acidorganopnictogen compoundorganic oxoazaniumnitrobenzenenitroaromatic compoundphenylpyruvateorganic 1,3-dipolar compoundaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundketo acidhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundorganic hyponitrite |
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