| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:37 UTC |
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| Update Date | 2025-03-25 00:53:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02198056 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H9NO5 |
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| Molecular Mass | 211.0481 |
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| SMILES | CC(C(=O)c1ccc(O)cc1O)[N+](=O)[O-] |
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| InChI Key | FZGXJRPSLFNUQA-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 | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsaryl alkyl ketonesbenzoyl derivativesc-nitro compoundshydrocarbon derivativesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsphenylpropanespropargyl-type 1,3-dipolar organic compoundsresorcinolsvinylogous acids |
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| Substituents | monocyclic benzene moietyaryl alkyl ketoneallyl-type 1,3-dipolar organic compoundbenzoyl1-hydroxy-2-unsubstituted benzenoidorganic nitro compoundresorcinolpropargyl-type 1,3-dipolar organic compoundphenylpropaneorganic oxidec-nitro compoundorganonitrogen compoundorganopnictogen compoundorganic oxoazaniumorganic 1,3-dipolar compound1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundvinylogous acidphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundalkyl-phenylketoneorganic hyponitrite |
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