| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 12:42:48 UTC |
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| Update Date | 2025-03-24 21:45:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01878879 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C6H6N2S |
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| Molecular Mass | 138.0252 |
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| SMILES | S=C=NCc1ccc[nH]1 |
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| InChI Key | GVJIKZFTKIRGDQ-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 | heteroaromatic compounds |
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| Subclass | heteroaromatic compounds |
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| Direct Parent | heteroaromatic compounds |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundshydrocarbon derivativesisothiocyanatesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrroles |
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| Substituents | isothiocyanatearomatic heteromonocyclic compoundazacycleheteroaromatic compoundorganic 1,3-dipolar compoundorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compound |
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