| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:46 UTC |
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| Update Date | 2025-03-21 18:33:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00097502 |
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| Frequency | 28.3 |
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| Structure | |
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| Chemical Formula | C13H18O9S |
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| Molecular Mass | 350.0672 |
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| SMILES | Cc1ccc(OC2OC(COS(=O)(=O)O)C(O)C(O)C2O)cc1 |
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| InChI Key | RRLWHPOOSNLQIJ-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 monoesterstoluenes |
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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 estertolueneorganoheterocyclic compoundorganooxygen compound |
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