| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:21:15 UTC |
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| Update Date | 2025-03-21 18:36:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00113361 |
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| Frequency | 23.4 |
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| Structure | |
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| Chemical Formula | C8H11N5O2S4 |
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| Molecular Mass | 336.9796 |
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| SMILES | NC(CCSCc1csc(N=C=S)n1)=NS(N)(=O)=O |
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| InChI Key | ZBWKOVODMPUGHT-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 | amidinesazacyclic compoundsdialkylthioethersheteroaromatic compoundshydrocarbon derivativesisothiocyanatesorganic oxidesorganic sulfuric acids and derivativesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssulfenyl compounds |
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| Substituents | isothiocyanateorganic sulfuric acid or derivativessulfenyl compoundaromatic heteromonocyclic compoundazacycledialkylthioetherheteroaromatic compoundorganic 1,3-dipolar compoundamidineorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundorganic oxideorganic oxygen compoundthioether2,4-disubstituted 1,3-thiazoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compound |
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