| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:56:55 UTC |
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| Update Date | 2025-03-25 00:52:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02194151 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H23N5O3S |
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| Molecular Mass | 329.1522 |
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| SMILES | CNC(=C[N+](=O)[O-])NNCCSCc1ccc(CN(C)C)o1 |
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| InChI Key | RPAKCPAGTDIMQV-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic nitrogen compounds |
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| Class | organonitrogen compounds |
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| Subclass | amines |
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| Direct Parent | aralkylamines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkylhydrazinesc-nitro compoundsdialkylaminesdialkylthioethersfuransheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundspropargyl-type 1,3-dipolar organic compoundssulfenyl compoundstrialkylamines |
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| Substituents | furanaromatic heteromonocyclic compoundallyl-type 1,3-dipolar organic compoundorganosulfur compoundaralkylamineorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundalkylhydrazineorganic oxidec-nitro compoundorganopnictogen compoundorganic oxoazaniumtertiary amineorganoheterocyclic compoundsecondary aliphatic aminehydrazine derivativesulfenyl compounddialkylthioetherheteroaromatic compoundtertiary aliphatic amineorganic 1,3-dipolar compoundsecondary amineoxacycleorganic oxygen compoundthioetherhydrocarbon derivativeorganooxygen compoundorganic hyponitrite |
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