| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:01:39 UTC |
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| Update Date | 2025-03-21 18:06:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00066089 |
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| Frequency | 46.2 |
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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 | COC(=O)Cc1ccc(O)c([N+](=O)[O-])c1 |
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| InChI Key | SPCRIUSIYZYZKN-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 | phenols |
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| Subclass | nitrophenols |
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| Direct Parent | nitrophenols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidscarbonyl compoundshydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesnitroaromatic compoundsnitrobenzenesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | monocyclic benzene moietycarbonyl groupallyl-type 1,3-dipolar organic compound1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidemethyl esterc-nitro compoundorganonitrogen compoundorganopnictogen compoundorganic oxoazaniumnitrophenolnitrobenzenenitroaromatic compoundorganic 1,3-dipolar compoundaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundorganic hyponitrite |
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