| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:46 UTC |
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| Update Date | 2025-03-25 00:47:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02164186 |
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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(O)C(=O)Oc1ccc([N+](=O)[O-])cc1 |
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| InChI Key | GIVPQJQIHBLXEL-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 | phenol esters |
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| Subclass | phenol esters |
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| Direct Parent | phenol esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesnitroaromatic compoundsnitrobenzenesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundspropargyl-type 1,3-dipolar organic compoundssecondary alcohols |
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| Substituents | monocyclic benzene moietycarbonyl groupallyl-type 1,3-dipolar organic compoundcarboxylic acid derivativeorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidec-nitro compoundorganonitrogen compoundorganopnictogen compoundorganic oxoazaniumnitrobenzenenitroaromatic compoundalcoholorganic 1,3-dipolar compoundaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterphenol estersecondary alcoholhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compoundorganic hyponitrite |
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