| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:11 UTC |
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| Update Date | 2025-03-25 00:45:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02149199 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H18O3S |
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| Molecular Mass | 242.0977 |
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| SMILES | CC(C)(CCS(C)(=O)=O)c1ccc(O)cc1 |
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| InChI Key | OXVMRBBTKZYNMC-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 | benzene and substituted derivatives |
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| Subclass | phenylpropanes |
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| Direct Parent | phenylpropanes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidshydrocarbon derivativesorganic oxidesorganooxygen compoundssulfones |
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| Substituents | 1-hydroxy-2-unsubstituted benzenoidorganosulfur compoundphenylpropanearomatic homomonocyclic compoundorganic oxidesulfonylorganic oxygen compoundphenolhydrocarbon derivativeorganooxygen compoundsulfone |
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