| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:08 UTC |
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| Update Date | 2025-03-25 01:01:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02251993 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H12O5S |
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| Molecular Mass | 232.0405 |
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| SMILES | O=S(O)CC(O)C(O)c1cccc(O)c1 |
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| InChI Key | JCSDUVBTJWQVPQ-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 | 1,2-diols1-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 compound1,2-diol |
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