| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:16 UTC |
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| Update Date | 2025-03-21 18:38:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00122960 |
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| Frequency | 21.0 |
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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 | CNC(=C[N+](=O)[O-])NCCSCc1ccc(CCNC(C)=O)o1 |
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| InChI Key | IMQLLXKOBKKVCN-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | furans |
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| Subclass | furans |
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| Direct Parent | furans |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetamidesamino acids and derivativesc-nitro compoundscarbonyl compoundscarboxylic acids and derivativesdialkylaminesdialkylthioethersheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganopnictogen compoundsoxacyclic compoundspropargyl-type 1,3-dipolar organic compoundssecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | furancarbonyl grouparomatic heteromonocyclic compoundamino acid or derivativesallyl-type 1,3-dipolar organic compoundorganosulfur compoundcarboxylic acid derivativeorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidec-nitro compoundorganonitrogen compoundorganopnictogen compoundorganic oxoazaniumacetamidesecondary aliphatic aminesulfenyl compounddialkylthioetherheteroaromatic compoundorganic 1,3-dipolar compoundsecondary aminecarboxamide groupoxacyclesecondary carboxylic acid amideorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamineorganic hyponitrite |
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