| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:01:13 UTC |
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| Update Date | 2025-03-21 18:06:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00065044 |
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| Frequency | 47.2 |
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| Structure | |
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| Chemical Formula | C14H22N4O4S |
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| Molecular Mass | 342.1362 |
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| SMILES | CC(=O)NC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1 |
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| InChI Key | MYTVMHQWZGJJSD-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 | acetamidesamino acids and derivativesc-nitro compoundscarbonyl compoundscarboxylic acids and derivativesdialkylaminesdialkylthioethersfuransheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganopnictogen compoundsoxacyclic compoundspropargyl-type 1,3-dipolar organic compoundssecondary carboxylic acid amidessulfenyl compoundstrialkylamines |
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| Substituents | furancarbonyl grouparomatic heteromonocyclic compoundamino acid or derivativesallyl-type 1,3-dipolar organic compoundorganosulfur compoundcarboxylic acid derivativearalkylamineorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidec-nitro compoundorganopnictogen compoundorganic oxoazaniumtertiary amineorganoheterocyclic compoundacetamidesecondary aliphatic aminesulfenyl compounddialkylthioetherheteroaromatic compoundtertiary aliphatic amineorganic 1,3-dipolar compoundsecondary aminecarboxamide groupoxacyclesecondary carboxylic acid amideorganic oxygen compoundthioetherhydrocarbon derivativeorganooxygen compoundorganic hyponitrite |
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