| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:23 UTC |
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| Update Date | 2025-03-25 00:50:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183898 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H11N3O5 |
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| Molecular Mass | 265.0699 |
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| SMILES | O=C1CNC(=O)C(Cc2ccc(O)c([N+](=O)[O-])c2)N1 |
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| InChI Key | SSBSUEOZSZPNIO-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 benzenoids2,5-dioxopiperazinesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativeslactamsnitroaromatic compoundsnitrobenzenesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl grouplactamaromatic heteromonocyclic compoundallyl-type 1,3-dipolar organic compound1-hydroxy-2-unsubstituted benzenoidalpha-amino acid or derivatives2,5-dioxopiperazinecarboxylic acid derivativeorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidedioxopiperazinepiperazinec-nitro compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic oxoazaniumnitrophenolorganoheterocyclic compoundnitrobenzenenitroaromatic compoundazacycleorganic 1,3-dipolar compoundcarboxamide groupsecondary carboxylic acid amideorganic oxygen compound1,4-diazinanehydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundorganic hyponitrite |
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