| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:21 UTC |
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| Update Date | 2025-03-25 00:54:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02206592 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H10O4S |
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| Molecular Mass | 214.03 |
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| SMILES | O=C(O)C(CO)Sc1ccc(O)cc1 |
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| InChI Key | QDIRGPSLOOJATD-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 | thiophenols |
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| Subclass | thiophenols |
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| Direct Parent | thiophenols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkylarylthioethersbenzene and substituted derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesprimary alcoholssulfenyl compoundsthiophenol ethers |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoidalkylarylthioetherorganosulfur compoundcarboxylic acid derivativearyl thioetherbeta-hydroxy acidorganic oxidethiophenolthiophenol etherprimary alcoholalcoholsulfenyl compoundhydroxy acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundthioetherphenolhydrocarbon derivativeorganooxygen compound |
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