| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 10:19:43 UTC |
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| Update Date | 2025-03-24 20:42:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01537648 |
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| Frequency | 0.8 |
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| Structure | |
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| Chemical Formula | C3H5NO4 |
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| Molecular Mass | 119.0219 |
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| SMILES | CC(=O)CO[N+](=O)[O-] |
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| InChI Key | ISWXYJQANHQYSR-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | organic nitric acids and derivatives |
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| Subclass | nitrate esters |
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| Direct Parent | nitrate esters |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkyl nitrateshydrocarbon derivativesketonesorganic nitro compoundsorganic nitrogen compoundsorganic oxides |
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| Substituents | aliphatic acyclic compoundcarbonyl grouporganic nitratenitrate esterallyl-type 1,3-dipolar organic compoundorganic 1,3-dipolar compoundorganic nitro compoundketoneorganic oxideorganic oxygen compoundalkyl nitratehydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundorganic hyponitrite |
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