| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:56 UTC |
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| Update Date | 2025-03-21 18:38:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00122200 |
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| Frequency | 21.2 |
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| Structure | |
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| Chemical Formula | C12H19N3O4S2 |
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| Molecular Mass | 333.0817 |
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| SMILES | CNC(=C[N+](=O)[O-])NCCSCc1ccc(CS(C)=O)o1 |
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| InChI Key | VNEJJGWHRLERAY-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 | c-nitro compoundsdialkylaminesdialkylthioethersheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundspropargyl-type 1,3-dipolar organic compoundssulfenyl compoundssulfinyl compoundssulfoxides |
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| Substituents | furanaromatic heteromonocyclic compoundallyl-type 1,3-dipolar organic compoundorganosulfur compoundorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidesulfinyl compoundc-nitro compoundorganonitrogen compoundorganopnictogen compoundorganic oxoazaniumsecondary aliphatic aminesulfenyl compounddialkylthioetherheteroaromatic compoundorganic 1,3-dipolar compoundsecondary amineoxacycleorganic oxygen compoundthioethersulfoxidehydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamineorganic hyponitrite |
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