| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:26 UTC |
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| Update Date | 2025-03-21 18:41:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00132792 |
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| Frequency | 19.0 |
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| Structure | |
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| Chemical Formula | C8H15NO4 |
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| Molecular Mass | 189.1001 |
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| SMILES | CCCCC(O)CC(O)=C[N+](=O)[O-] |
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| InChI Key | KBZKJZYLIKEKJB-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 | hydrocarbon derivativesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundspropargyl-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 oxoazaniumorganooxygen compoundorganic hyponitrite |
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