| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:54 UTC |
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| Update Date | 2025-03-25 00:57:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02224230 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H9NO5 |
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| Molecular Mass | 223.0481 |
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| SMILES | O=C(CC(C(=O)O)[N+](=O)[O-])c1ccccc1 |
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| InChI Key | JPYIVDZYYAKEPB-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | alkyl-phenylketones |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsaryl alkyl ketonesbenzoyl derivativesbutyrophenonesc-nitro compoundscarboxylic acidsgamma-keto acids and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | monocyclic benzene moietycarboxylic acidaryl alkyl ketoneallyl-type 1,3-dipolar organic compoundbenzoylalpha-amino acid or derivativescarboxylic acid derivativeorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidec-nitro compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic oxoazaniumorganic 1,3-dipolar compoundgamma-keto acidbutyrophenonearomatic homomonocyclic compoundmonocarboxylic acid or derivativesketo acidhydrocarbon derivativebenzenoidorganic nitrogen compoundalkyl-phenylketoneorganic hyponitrite |
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