| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:04 UTC |
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| Update Date | 2025-03-25 01:01:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02249560 |
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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 | Cc1cc(C)c(OS(=O)(=O)O)c(CO)c1 |
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| InChI Key | WDSWAWWOQGHUIH-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 | aromatic alcoholsbenzyl alcoholshydrocarbon derivativesorganic oxidesphenoxy compoundssulfuric acid monoestersm-xylenes |
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| Substituents | aromatic alcoholalcoholmonocyclic benzene moietysulfuric acid monoesterm-xylenebenzyl alcoholaromatic homomonocyclic compoundxylenephenylsulfateorganic oxideorganic oxygen compoundsulfate-esterhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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