| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:29 UTC |
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| Update Date | 2025-03-25 00:48:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02170404 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H19N2O2+ |
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| Molecular Mass | 175.1441 |
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| SMILES | CCCCCCCCO[N+](N)=O |
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| InChI Key | HTHMYIHRYIPXBM-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 | nitrite esters |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | hydrocarbon derivativesorganic cationsorganic nitritesorganic nitrogen compoundsorganic oxidesorganooxygen compounds |
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| Substituents | aliphatic acyclic compoundorganic oxideorganic oxygen compoundhydrocarbon derivativenitrite esterorganic nitrogen compoundorganic cationorganic nitriteorganooxygen compound |
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