| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:19 UTC |
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| Update Date | 2025-03-25 00:59:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02236317 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H16N2O4S |
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| Molecular Mass | 272.0831 |
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| SMILES | CSCC1OC(n2cccc(N)c2=O)C(O)C1O |
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| InChI Key | IATCZFZDGKILGO-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 | pyridines and derivatives |
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| Subclass | hydropyridines |
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| Direct Parent | pyridinones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsazacyclic compoundsdialkylthioethersheteroaromatic compoundshydrocarbon derivativeshydroxypyridineslactamsmethylpyridinesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsprimary aminessecondary alcoholssulfenyl compoundstetrahydrofurans |
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| Substituents | lactamaromatic heteromonocyclic compoundmonosaccharideorganosulfur compoundsaccharideorganic oxideorganonitrogen compoundorganopnictogen compound1,2-diolalcoholsulfenyl compoundazacycletetrahydrofurandialkylthioetherheteroaromatic compoundhydroxypyridinemethylpyridineoxacycleorganic oxygen compoundthioethersecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundpyridinoneamineorganooxygen compound |
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