| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:38:12 UTC |
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| Update Date | 2025-03-21 17:57:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00011276 |
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| Frequency | 411.1 |
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| Structure | |
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| Chemical Formula | C8H7NO5 |
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| Molecular Mass | 197.0324 |
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| SMILES | O=C(O)COc1ccc([N+](=O)[O-])cc1 |
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| InChI Key | AVDLFIONKHGQAP-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 | phenoxyacetic acid derivatives |
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| Direct Parent | phenoxyacetic acid derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl etherscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesnitroaromatic compoundsnitrophenyl ethersorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | phenol etherphenoxyacetatecarbonyl groupethercarboxylic acidallyl-type 1,3-dipolar organic compoundalkyl aryl ethercarboxylic acid derivativeorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidec-nitro compoundorganonitrogen compoundorganopnictogen compoundorganic oxoazaniumnitrobenzenenitroaromatic compoundorganic 1,3-dipolar compoundaromatic homomonocyclic compoundmonocarboxylic acid or derivativesnitrophenyl etherorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compoundorganic hyponitrite |
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