| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:42:29 UTC |
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| Update Date | 2025-03-21 17:59:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00020878 |
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| Frequency | 192.8 |
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| Structure | |
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| Chemical Formula | C8H11NO3S |
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| Molecular Mass | 201.046 |
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| SMILES | NCCc1ccc(O)c(S(=O)O)c1 |
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| InChI Key | JHIOWOKPXXYGIM-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 homomonocyclic compounds |
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| Alternative Parents | benzene and substituted derivativeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfur compoundssulfinic acids |
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| Substituents | monocyclic benzene moietysulfinic acid derivative1-hydroxy-2-unsubstituted benzenoidorganosulfur compoundsulfinic acidaromatic homomonocyclic compoundorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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