| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:42 UTC |
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| Update Date | 2025-03-25 00:48:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02168610 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H14NO4+ |
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| Molecular Mass | 224.0917 |
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| SMILES | CC(C)(OC(=O)Cc1ccccc1)[N+](=O)O |
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| InChI Key | ZSHXXKJKJGGAPU-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 | benzene and substituted derivatives |
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| Direct Parent | benzene and substituted derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | c-nitro compoundscarbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | monocyclic benzene moietycarbonyl groupallyl-type 1,3-dipolar organic compoundorganic 1,3-dipolar compoundcarboxylic acid derivativeorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundaromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundc-nitro compoundcarboxylic acid esterorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic oxoazaniumorganooxygen compoundorganic hyponitrite |
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