| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:52 UTC |
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| Update Date | 2025-03-25 00:48:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02166761 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H12N2O5 |
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| Molecular Mass | 240.0746 |
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| SMILES | CC(=O)NCCc1cc(O)cc(O)c1[N+](=O)[O-] |
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| InChI Key | GHIYKXFKCKSZDW-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 benzenoids1-hydroxy-4-unsubstituted benzenoidsacetamidescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesnitroaromatic compoundsnitrobenzenesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundsresorcinolssecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupallyl-type 1,3-dipolar organic compound1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganic nitro compoundresorcinolpropargyl-type 1,3-dipolar organic compoundorganic oxidec-nitro compoundorganonitrogen compoundorganopnictogen compoundorganic oxoazaniumnitrophenolacetamidenitrobenzenenitroaromatic compoundorganic 1,3-dipolar compound1-hydroxy-4-unsubstituted benzenoidcarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundorganic hyponitrite |
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