| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:39:25 UTC |
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| Update Date | 2025-03-21 17:58:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00014118 |
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| Frequency | 313.1 |
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| Structure | |
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| Chemical Formula | C7H5NO4 |
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| Molecular Mass | 167.0219 |
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| SMILES | O=Cc1ccc(O)c([N+](=O)[O-])c1 |
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| InChI Key | YTHJCZRFJGXPTL-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 | nitrobenzaldehydes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsbenzoyl derivativeshydrocarbon derivativeshydroxybenzaldehydesnitroaromatic compoundsnitrophenolsorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | allyl-type 1,3-dipolar organic compoundbenzoyl1-hydroxy-2-unsubstituted benzenoidorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidearyl-aldehydec-nitro compoundorganonitrogen compoundorganopnictogen compoundorganic oxoazaniumnitrophenolnitroaromatic compoundaldehydeorganic 1,3-dipolar compoundaromatic homomonocyclic compoundbenzaldehydenitrobenzaldehydeorganic oxygen compoundphenolhydrocarbon derivativeorganic nitrogen compoundhydroxybenzaldehydeorganooxygen compoundorganic hyponitrite |
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