| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:29 UTC |
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| Update Date | 2025-03-21 18:38:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00118814 |
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| Frequency | 22.0 |
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| Structure | |
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| Chemical Formula | C10H14O5S |
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| Molecular Mass | 246.0562 |
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| SMILES | Cc1c(O)ccc(C(C)C)c1OS(=O)(=O)O |
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| InChI Key | DDEZXESMQCZJIV-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | organic sulfuric acids and derivatives |
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| Subclass | arylsulfates |
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| Direct Parent | phenylsulfates |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidscumeneshydrocarbon derivativesorganic oxidesorganooxygen compoundsortho cresolsphenoxy compoundsphenylpropanessulfuric acid monoesterstoluenes |
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| Substituents | monocyclic benzene moietysulfuric acid monoester1-hydroxy-2-unsubstituted benzenoidphenylpropanearomatic homomonocyclic compoundphenylsulfateorganic oxideorganic oxygen compoundo-cresolsulfate-esterphenolcumenehydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid estertolueneorganooxygen compound |
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