| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:01 UTC |
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| Update Date | 2025-03-25 00:57:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02224511 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H10N2O4 |
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| Molecular Mass | 210.0641 |
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| SMILES | O=C(NCC[N+](=O)[O-])c1ccccc1O |
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| InChI Key | KEDYVPZBAGQTFX-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 | benzoic acids and derivatives |
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| Direct Parent | salicylamides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzamidesbenzoyl derivativesc-nitro compoundscarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary carboxylic acid amidesvinylogous acids |
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| Substituents | allyl-type 1,3-dipolar organic compoundbenzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativebenzamideorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidec-nitro compoundorganonitrogen compoundorganopnictogen compoundorganic oxoazaniumorganic 1,3-dipolar compound1-hydroxy-4-unsubstituted benzenoidcarboxamide groupsalicylamidearomatic homomonocyclic compoundsecondary carboxylic acid amidevinylogous acidorganic oxygen compoundphenolhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundorganic hyponitrite |
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