| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:27 UTC |
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| Update Date | 2025-03-25 00:47:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02163453 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H13NO7 |
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| Molecular Mass | 271.0692 |
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| SMILES | O=C(O)C(O)C(CO)Cc1ccc(O)c([N+](=O)[O-])c1 |
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| InChI Key | NUOVCQHVXWOCGJ-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 benzenoidsalpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesnitroaromatic compoundsnitrobenzenesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundsprimary alcoholspropargyl-type 1,3-dipolar organic compoundssecondary alcohols |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidalpha-hydroxy acidallyl-type 1,3-dipolar organic compound1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativeorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundsaccharideorganic oxidec-nitro compoundorganonitrogen compoundorganopnictogen compoundorganic oxoazaniumprimary alcoholnitrophenolnitrobenzenenitroaromatic compoundalcoholorganic 1,3-dipolar compoundhydroxy acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundorganic hyponitrite |
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