| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:22 UTC |
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| Update Date | 2025-03-25 00:53:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202101 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H18O10S |
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| Molecular Mass | 366.0621 |
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| SMILES | COc1ccccc1OS(=O)(=O)OCC1OC(O)C(O)C(O)C1O |
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| InChI Key | ITTGKVBFCOVTMM-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 | arylsulfates |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersalkyl sulfatesanisoleshemiacetalshydrocarbon derivativesmethoxybenzenesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundssecondary alcoholssulfuric acid diesters |
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| Substituents | phenol ethermonocyclic benzene moietyetheraromatic heteromonocyclic compoundmonosaccharidealkyl aryl ethersaccharideorganic oxidesulfuric acid diesteralkyl sulfatehemiacetalarylsulfateoxaneorganoheterocyclic compoundalcoholmethoxybenzeneoxacycleorganic oxygen compoundanisolesecondary alcoholhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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