| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:00:34 UTC |
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| Update Date | 2025-03-21 18:06:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00063508 |
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| Frequency | 48.6 |
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| Structure | |
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| Chemical Formula | C10H17N7O2S2 |
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| Molecular Mass | 331.0885 |
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| SMILES | CNC(=C[N+](=O)[O-])NCCSCc1csc(N=C(N)N)n1 |
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| InChI Key | XFIIXEUEAXLPOR-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 | azoles |
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| Subclass | thiazoles |
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| Direct Parent | 2,4-disubstituted thiazoles |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsc-nitro compoundsdialkylaminesdialkylthioethersguanidinesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssulfenyl compounds |
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| Substituents | aromatic heteromonocyclic compoundguanidineallyl-type 1,3-dipolar organic compoundorganosulfur compoundorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidec-nitro compoundorganonitrogen compoundorganopnictogen compoundorganic oxoazaniumsecondary aliphatic aminesulfenyl compoundazacycledialkylthioetherheteroaromatic compoundorganic 1,3-dipolar compoundsecondary amineorganic oxygen compoundthioether2,4-disubstituted 1,3-thiazolehydrocarbon derivativeorganic nitrogen compoundamineorganic hyponitrite |
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