| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:26 UTC |
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| Update Date | 2025-03-21 18:41:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00132810 |
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| Frequency | 19.0 |
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| Structure | |
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| Chemical Formula | C9H9NO6 |
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| Molecular Mass | 227.043 |
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| SMILES | O=C(O)C(O)COc1ccc([N+](=O)[O-])cc1 |
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| InChI Key | RREPNZAMISZDMN-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 | benzene and substituted derivatives |
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| Subclass | nitrobenzenes |
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| Direct Parent | nitrophenyl ethers |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersalpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesnitroaromatic compoundsorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundspropargyl-type 1,3-dipolar organic compoundssecondary alcoholssugar acids and derivatives |
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| Substituents | phenol ethercarbonyl groupethercarboxylic acidalpha-hydroxy acidallyl-type 1,3-dipolar organic compoundmonosaccharidealkyl aryl ethercarboxylic acid derivativeorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundsaccharideorganic oxideglyceric_acidc-nitro compoundorganonitrogen compoundorganopnictogen compoundorganic oxoazaniumnitroaromatic compoundalcoholorganic 1,3-dipolar compoundhydroxy acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesnitrophenyl etherorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compoundorganic hyponitrite |
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