Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:17:23 UTC |
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Update Date | 2025-03-21 18:35:06 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00103941 |
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Frequency | 26.1 |
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Structure | |
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Chemical Formula | C8H10O4S |
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Molecular Mass | 202.03 |
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SMILES | O=S(O)CC(O)c1cccc(O)c1 |
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InChI Key | CNGTUJPEGDYDCQ-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 | 1-hydroxy-4-unsubstituted benzenoidsalkanesulfinic acids and derivativesaromatic alcoholsbenzene and substituted derivativeshydrocarbon derivativesorganic oxidesorganosulfur compoundssecondary alcoholssulfinic acids |
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Substituents | aromatic alcoholalcoholmonocyclic benzene moietysulfinic acid derivative1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidorganosulfur compoundsulfinic acidaromatic homomonocyclic compoundalkanesulfinic acid or derivativesorganic oxideorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganooxygen compound |
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