| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 03:49:49 UTC |
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| Update Date | 2025-03-21 22:58:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00603937 |
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| Frequency | 2.7 |
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| Structure | |
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| Chemical Formula | C2H2N2OS |
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| Molecular Mass | 101.9888 |
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| SMILES | NC(=O)N=C=S |
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| InChI Key | UBUMYWSZWCXCGB-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organosulfur compounds |
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| Class | isothiocyanates |
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| Subclass | isothiocyanate acids |
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| Direct Parent | isothiocyanate acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundshydrocarbon derivativesiminesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarbonic acid derivativeimineisothiocyanate acidorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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