| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:04:36 UTC |
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| Update Date | 2025-03-21 18:28:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00073174 |
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| Frequency | 40.7 |
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| Structure | |
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| Chemical Formula | C14H20O9S |
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| Molecular Mass | 364.0828 |
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| SMILES | CCc1ccc(OC2OC(COS(=O)(=O)O)C(O)C(O)C2O)cc1 |
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| InChI Key | KHYNVNBEMPRKIT-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 | phenol ethers |
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| Subclass | phenol ethers |
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| Direct Parent | phenol ethers |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetalsalkyl sulfateshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundssecondary alcoholssulfuric acid monoesters |
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| Substituents | alcoholphenol ethermonocyclic benzene moietysulfuric acid monoesterorganic sulfuric acid or derivativesaromatic heteromonocyclic compoundmonosaccharideoxacyclesaccharideorganic oxideorganic oxygen compoundacetalalkyl sulfatesecondary alcoholsulfate-esterhydrocarbon derivativephenoxy compoundoxanesulfuric acid esterorganoheterocyclic compoundorganooxygen compound |
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