| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:57:19 UTC |
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| Update Date | 2025-03-25 01:15:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02332916 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C4H9N3O2 |
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| Molecular Mass | 131.0695 |
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| SMILES | CC(O)C1CN=[N+]([O-])N1 |
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| InChI Key | DJJYKBFZRBYEMF-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | azolines |
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| Subclass | triazolines |
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| Direct Parent | triazolines |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | allyl-type 1,3-dipolar organic compoundsazacyclic compoundshydrocarbon derivativesorganic oxidesorganic oxoanionic compoundsorganonitrogen compoundsorganopnictogen compoundssecondary alcohols |
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| Substituents | alcoholazacycleallyl-type 1,3-dipolar organic compoundtriazolineorganic 1,3-dipolar compoundorganic oxideorganic oxygen compoundaliphatic heteromonocyclic compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundorganic hyponitrite |
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