| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:56 UTC |
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| Update Date | 2025-03-25 00:59:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02239933 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H10N2O4 |
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| Molecular Mass | 198.0641 |
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| SMILES | NCCc1ccc(O[N+](=O)[O-])c(O)c1 |
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| InChI Key | LKEYUQGDBRQPQB-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 | phenoxy compounds |
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| Direct Parent | phenoxy compounds |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidshydrocarbon derivativesmonoalkylaminesnitrate estersorganic nitratesorganic nitro compoundsorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compounds |
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| Substituents | organic nitric acid or derivativesorganic nitratenitrate esterallyl-type 1,3-dipolar organic compound1-hydroxy-2-unsubstituted benzenoidorganic 1,3-dipolar compound1-hydroxy-4-unsubstituted benzenoidorganic nitro compoundaromatic homomonocyclic compoundorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundphenolhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compoundorganic hyponitrite |
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