| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:01 UTC |
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| Update Date | 2025-03-25 00:45:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02148820 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H16O6S |
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| Molecular Mass | 288.0668 |
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| SMILES | O=S(=O)(O)Oc1cccc(CC2CC(O)CC2O)c1 |
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| InChI Key | YWHDFHLVODNCKN-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 | cyclic alcohols and derivativescyclopentanolshydrocarbon derivativesorganic oxidesphenoxy compoundssulfuric acid monoesters |
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| Substituents | alcoholmonocyclic benzene moietysulfuric acid monoestercyclic alcoholcyclopentanolaromatic homomonocyclic compoundphenylsulfateorganic oxideorganic oxygen compoundsecondary alcoholsulfate-esterhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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