| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:43:16 UTC |
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| Update Date | 2025-03-21 18:49:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00165203 |
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| Frequency | 14.3 |
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| Structure | |
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| Chemical Formula | C3H7NO4 |
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| Molecular Mass | 121.0375 |
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| SMILES | O=[N+]([O-])CC(O)CO |
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| InChI Key | KNAFKGCUHDGMGE-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic 1,3-dipolar compounds |
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| Class | allyl-type 1,3-dipolar organic compounds |
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| Subclass | organic nitro compounds |
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| Direct Parent | c-nitro compounds |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | 1,2-diolshydrocarbon derivativesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundsprimary alcoholspropargyl-type 1,3-dipolar organic compoundssecondary alcohols |
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| Substituents | alcoholaliphatic acyclic compoundpropargyl-type 1,3-dipolar organic compoundorganic oxideorganic oxygen compoundc-nitro compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic oxoazaniumprimary alcoholorganooxygen compoundorganic hyponitrite1,2-diol |
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