| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:16 UTC |
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| Update Date | 2025-03-25 00:53:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201860 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H9NO3S |
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| Molecular Mass | 187.0303 |
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| SMILES | Cc1cc(O)c(N)c(S(=O)O)c1 |
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| InChI Key | GCHYIIJHYOMMNQ-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 | cresols |
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| Direct Parent | meta cresols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsorganosulfur compoundsprimary aminessulfinic acidstoluenes |
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| Substituents | monocyclic benzene moietym-cresolsulfinic acid derivative1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidorganosulfur compoundsulfinic acidaromatic homomonocyclic compoundorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundtolueneamineorganooxygen compound |
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