| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:14 UTC |
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| Update Date | 2025-03-25 00:58:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02233835 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H21NO2 |
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| Molecular Mass | 247.1572 |
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| SMILES | CC1CC(C)(C)c2c([N+](=O)[O-])cccc2C1(C)C |
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| InChI Key | JKFOIBKIMNLKBB-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | naphthalenes |
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| Subclass | nitronaphthalenes |
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| Direct Parent | nitronaphthalenes |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | hydrocarbon derivativesnitroaromatic compoundsorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundstetralins |
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| Substituents | nitroaromatic compoundtetralinallyl-type 1,3-dipolar organic compoundaromatic homopolycyclic compoundorganic 1,3-dipolar compoundorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxide1-nitronaphthaleneorganic oxygen compoundc-nitro compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic oxoazaniumorganic hyponitrite |
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