| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:49:59 UTC |
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| Update Date | 2025-03-21 18:02:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00038539 |
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| Frequency | 90.7 |
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| Structure | |
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| Chemical Formula | C11H16O4S |
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| Molecular Mass | 244.0769 |
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| SMILES | Cc1ccc(C(C)C)c(OS(=O)(=O)O)c1C |
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| InChI Key | NLPNXTWITUSVRE-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 monoterpenoidscumeneshydrocarbon derivativesmonocyclic monoterpenoidsorganic oxidesorganooxygen compoundsphenoxy compoundsphenylpropanessulfuric acid monoesterso-xylenes |
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| Substituents | monoterpenoidmonocyclic benzene moietysulfuric acid monoestermonocyclic monoterpenoidp-cymenephenylpropanearomatic homomonocyclic compoundxylenephenylsulfateorganic oxideo-xyleneorganic oxygen compoundsulfate-estercumenehydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compoundaromatic monoterpenoid |
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