| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:26 UTC |
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| Update Date | 2025-03-21 18:36:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00111417 |
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| Frequency | 23.9 |
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| Structure | |
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| Chemical Formula | C13H24N5O2S+ |
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| Molecular Mass | 314.1645 |
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| SMILES | CNC(=C[N+](N)=O)NCCSCc1ccc(CN(C)C)o1 |
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| InChI Key | RUYUSZNFYVKGJG-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 | dialkylaminesdialkylthioethersfuransheteroaromatic compoundshydrocarbon derivativesorganic cationsorganic oxidesorganic oxoazanium compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundssulfenyl compoundstrialkylamines |
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| Substituents | furanaromatic heteromonocyclic compoundorganosulfur compoundaralkylamineorganic oxideorganopnictogen compoundorganic cationorganic oxoazaniumtertiary amineorganoheterocyclic compoundsecondary aliphatic aminesulfenyl compounddialkylthioetherheteroaromatic compoundtertiary aliphatic aminesecondary amineoxacycleorganic oxygen compoundthioetherhydrocarbon derivativeorganooxygen compound |
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