| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:39 UTC |
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| Update Date | 2025-03-25 00:46:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02157221 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H7N3OS |
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| Molecular Mass | 205.031 |
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| SMILES | O=C1NC(=S)NC1=Cc1cccnc1 |
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| InChI Key | JXSHZRKKQXDPHT-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidazolidinonesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyridines and derivativesthioureas |
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| Substituents | imidazolidinecarbonyl groupthioureaaromatic heteromonocyclic compoundazacycleheteroaromatic compoundorganosulfur compoundimidazolidinoneorganic oxidepyridineorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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