| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:01:29 UTC |
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| Update Date | 2025-03-21 18:06:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00065687 |
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| Frequency | 46.5 |
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| Structure | |
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| Chemical Formula | C8H8N2O3 |
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| Molecular Mass | 180.0535 |
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| SMILES | NC(=O)Cc1ccc([N+](=O)[O-])cc1 |
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| InChI Key | MQNBMOUEKNYZII-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 | phenylacetamides |
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| Direct Parent | phenylacetamides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesnitroaromatic compoundsnitrobenzenesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amidespropargyl-type 1,3-dipolar organic compounds |
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| Substituents | primary carboxylic acid amidecarbonyl groupallyl-type 1,3-dipolar organic compoundcarboxylic acid derivativeorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidec-nitro compoundorganonitrogen compoundorganopnictogen compoundorganic oxoazaniumphenylacetamidenitrobenzenenitroaromatic compoundorganic 1,3-dipolar compoundcarboxamide grouparomatic homomonocyclic compoundorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundorganic hyponitrite |
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