| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:31:17 UTC |
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| Update Date | 2025-03-21 18:41:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00136974 |
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| Frequency | 18.3 |
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| Structure | |
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| Chemical Formula | C11H11NO6 |
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| Molecular Mass | 253.0586 |
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| SMILES | O=C1CCC(Cc2cc(O)c([N+](=O)[O-])c(O)c2)O1 |
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| InChI Key | IXVXNMAVAWNLFZ-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 heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidscarbonyl compoundscarboxylic acid estersgamma butyrolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesnitroaromatic compoundsnitrobenzenesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspropargyl-type 1,3-dipolar organic compoundsresorcinolstetrahydrofurans |
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| Substituents | monocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compoundallyl-type 1,3-dipolar organic compound1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganic nitro compoundresorcinolpropargyl-type 1,3-dipolar organic compoundlactoneorganic oxidec-nitro compoundorganonitrogen compoundorganopnictogen compoundorganic oxoazaniumnitrophenolorganoheterocyclic compoundnitrobenzenenitroaromatic compoundtetrahydrofuranorganic 1,3-dipolar compound1-hydroxy-4-unsubstituted benzenoidgamma butyrolactoneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundorganic hyponitrite |
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