| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:58:03 UTC |
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| Update Date | 2025-03-21 18:05:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00057557 |
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| Frequency | 55.1 |
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| Structure | |
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| Chemical Formula | C15H26N4O3S |
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| Molecular Mass | 342.1726 |
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| SMILES | CCN(CC)Cc1ccc(CSCCNC(=C[N+](=O)[O-])NC)o1 |
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| InChI Key | MPFGVCMEPXSTSF-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 | c-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 compoundorganic oxidec-nitro compoundorganopnictogen compoundorganic oxoazaniumtertiary amineorganoheterocyclic compoundsecondary aliphatic aminesulfenyl compounddialkylthioetherheteroaromatic compoundtertiary aliphatic amineorganic 1,3-dipolar compoundsecondary amineoxacycleorganic oxygen compoundthioetherhydrocarbon derivativeorganooxygen compoundorganic hyponitrite |
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