| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:14 UTC |
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| Update Date | 2025-03-25 00:57:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02222715 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C4H6N2O2 |
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| Molecular Mass | 114.0429 |
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| SMILES | O=[N+]([O-])C1CCC=N1 |
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| InChI Key | NVLDIDIXHKTSIB-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 | pyrrolines |
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| Subclass | pyrrolines |
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| Direct Parent | pyrrolines |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsc-nitro compoundshydrocarbon derivativesiminesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | azacycleimineallyl-type 1,3-dipolar organic compoundorganic 1,3-dipolar compoundorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidepyrrolineorganic oxygen compoundc-nitro compoundaliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic oxoazaniumorganic hyponitrite |
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