| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:48 UTC |
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| Update Date | 2025-03-25 00:47:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02164265 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H12N4O2S |
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| Molecular Mass | 228.0681 |
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| SMILES | CC(O)C(=O)C1CNc2nc(S)[nH]c2N1 |
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| InChI Key | DIGJECXTUUYMME-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic nitrogen compounds |
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| Class | organonitrogen compounds |
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| Subclass | amines |
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| Direct Parent | secondary alkylarylamines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | acyloinsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsketonesorganic oxidesorganopnictogen compoundssecondary alcoholsthiols |
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| Substituents | carbonyl grouporganosulfur compoundketoneorganic oxidearomatic heteropolycyclic compoundimidazoleorganopnictogen compoundimidolactamorganoheterocyclic compoundazolealcoholazacycleheteroaromatic compoundarylthiolsecondary aliphatic/aromatic amineorganic oxygen compoundacyloinsecondary alcoholhydrocarbon derivativeorganooxygen compound |
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