| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:55:12 UTC |
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| Update Date | 2025-03-21 18:04:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00050930 |
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| Frequency | 64.3 |
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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 | Cc1ccc(COS(=O)(=O)O)c(C)c1O |
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| InChI Key | BMZYDQQHLYALDC-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 | cresols |
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| Direct Parent | ortho cresols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-4-unsubstituted benzenoidsalkyl sulfateshydrocarbon derivativesorganic oxidesorganooxygen compoundssulfuric acid monoestersm-xylenes |
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| Substituents | monocyclic benzene moietysulfuric acid monoesterorganic sulfuric acid or derivativesm-xylene1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundxyleneorganic oxideorganic oxygen compoundalkyl sulfateo-cresolsulfate-esterhydrocarbon derivativesulfuric acid esterorganooxygen compound |
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