Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 14:52:01 UTC |
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Update Date | 2025-03-25 00:50:47 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID02183082 |
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Frequency | 0.5 |
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Structure | |
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Chemical Formula | C13H11NO2 |
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Molecular Mass | 213.079 |
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SMILES | O=[N+]([O-])c1ccc(Cc2ccccc2)cc1 |
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InChI Key | IDSGFSCSMXRJON-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 | diphenylmethanes |
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Direct Parent | diphenylmethanes |
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Geometric Descriptor | aromatic homomonocyclic compounds |
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Alternative Parents | hydrocarbon derivativesnitroaromatic compoundsnitrobenzenesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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Substituents | nitroaromatic compounddiphenylmethaneallyl-type 1,3-dipolar organic compoundorganic 1,3-dipolar compoundorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundaromatic homomonocyclic compoundorganic oxideorganic oxygen compoundc-nitro compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic oxoazaniumorganic hyponitritenitrobenzene |
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