| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:58 UTC |
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| Update Date | 2025-03-25 00:49:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02176122 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H12N2O3S |
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| Molecular Mass | 216.0569 |
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| SMILES | Cc1c(C(O)C(C)O)[nH]c(=S)[nH]c1=O |
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| InChI Key | IAWGEWRNMNGJRI-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 | diazines |
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| Subclass | pyrimidines and pyrimidine derivatives |
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| Direct Parent | pyrimidinethiones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diols2-thiopyrimidinesaromatic alcoholsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrimidonessecondary alcoholsthioureasvinylogous amides |
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| Substituents | aromatic alcoholthiourealactampyrimidinethionearomatic heteromonocyclic compoundpyrimidoneorganosulfur compoundorganic oxideorganonitrogen compoundorganopnictogen compound2-thiopyrimidine1,2-diolalcoholvinylogous amideazacycleheteroaromatic compoundorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundthiopyrimidine |
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