| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:04 UTC |
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| Update Date | 2025-03-25 00:48:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02169436 |
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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 | CCCCCCc1ccc(O)c(S(=O)O)c1 |
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| InChI Key | CDBPLGVJYXOBQJ-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 | benzene and substituted derivativeshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganosulfur compoundssulfinic acids |
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| Substituents | monocyclic benzene moietysulfinic acid derivative1-hydroxy-2-unsubstituted benzenoidorganosulfur compoundsulfinic acidaromatic homomonocyclic compoundorganic oxideorganic oxygen compoundhydrocarbon derivativeorganooxygen compound |
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