| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:47:40 UTC |
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| Update Date | 2025-03-21 18:01:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00032915 |
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| Frequency | 110.7 |
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| Structure | |
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| Chemical Formula | C9H13N5S3 |
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| Molecular Mass | 287.0333 |
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| SMILES | NC(N)=Nc1nc(CSCCCN=C=S)cs1 |
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| InChI Key | UQBQQCSTPLQJGA-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 compoundsdialkylthioethersguanidinesheteroaromatic compoundshydrocarbon derivativesisothiocyanatesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssulfenyl compounds |
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| Substituents | isothiocyanatesulfenyl compoundaromatic heteromonocyclic compoundazacycleguanidinedialkylthioetherheteroaromatic compoundorganic 1,3-dipolar compoundorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundthioether2,4-disubstituted 1,3-thiazoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compound |
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