| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:21 UTC |
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| Update Date | 2025-03-25 00:53:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202048 |
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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 | CS(=O)(=O)CC(O)c1ccc(O)cc1O |
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| InChI Key | QICVNIAKNWLMMG-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 | benzenediols |
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| Direct Parent | resorcinols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsaromatic alcoholsbenzene and substituted derivativeshydrocarbon derivativesorganic oxidessecondary alcoholssulfones |
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| Substituents | aromatic alcoholalcoholmonocyclic benzene moiety1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidorganosulfur compoundresorcinolaromatic homomonocyclic compoundorganic oxidesulfonylorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganooxygen compoundsulfone |
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