| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:23:10 UTC |
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| Update Date | 2025-03-25 01:02:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02254275 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H13N3O2S |
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| Molecular Mass | 227.0728 |
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| SMILES | CC(C)C(=O)c1c(N)[nH]c(=S)n(C)c1=O |
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| InChI Key | DXMWSTALUDUXFP-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | aryl alkyl ketones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-thiopyrimidinesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeslactamsorganic oxidesorganooxygen compoundsorganopnictogen compoundsprimary aminespyrimidinethionespyrimidonesthioureasvinylogous amides |
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| Substituents | thiourealactamaryl alkyl ketonepyrimidinethionearomatic heteromonocyclic compoundpyrimidoneorganosulfur compoundpyrimidineorganic oxideorganonitrogen compoundorganopnictogen compound2-thiopyrimidineorganoheterocyclic compoundvinylogous amideazacycleheteroaromatic compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundaminethiopyrimidine |
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