| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:20 UTC |
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| Update Date | 2025-03-25 00:47:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02158721 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H8N2O3S |
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| Molecular Mass | 224.0256 |
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| SMILES | OC1=NC(S)(c2ccc(O)cc2)C(O)=N1 |
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| InChI Key | LFYBKFUZJBWWIA-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | phenols |
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| Subclass | 1-hydroxy-2-unsubstituted benzenoids |
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| Direct Parent | 1-hydroxy-2-unsubstituted benzenoids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkylthiolsazacyclic compoundsbenzene and substituted derivativeshydrocarbon derivativesimidazolesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfur compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | monocyclic benzene moietyaromatic heteromonocyclic compoundazacycle1-hydroxy-2-unsubstituted benzenoidorganic 1,3-dipolar compoundorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundorganic oxygen compoundimidazoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundalkylthiolorganoheterocyclic compoundorganooxygen compound |
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