| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:55:12 UTC |
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| Update Date | 2025-03-21 18:04:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00050952 |
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| Frequency | 64.2 |
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| Structure | |
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| Chemical Formula | C12H9NO3 |
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| Molecular Mass | 215.0582 |
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| SMILES | O=[N+]([O-])c1ccc(Oc2ccccc2)cc1 |
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| InChI Key | JDTMUJBWSGNMGR-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 | diphenylethers |
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| Direct Parent | diphenylethers |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | diarylethershydrocarbon derivativesnitroaromatic compoundsnitrobenzenesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | diaryl etherphenol etheretherallyl-type 1,3-dipolar organic compoundorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidec-nitro compoundorganonitrogen compoundorganopnictogen compoundorganic oxoazaniumnitrobenzenenitroaromatic compoundorganic 1,3-dipolar compoundaromatic homomonocyclic compoundorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundphenoxy compounddiphenyletherorganooxygen compoundorganic hyponitrite |
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