| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:56 UTC |
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| Update Date | 2025-03-25 00:50:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180663 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H18O8S |
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| Molecular Mass | 322.0722 |
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| SMILES | COc1cc(O)cc(CC(O)CCC(O)OS(=O)(=O)O)c1 |
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| InChI Key | FOCYDZOAAXIQBZ-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 | phenols |
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| Subclass | methoxyphenols |
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| Direct Parent | methoxyphenols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersalkyl sulfatesanisoleshydrocarbon derivativesmethoxybenzenesorganic oxidesphenoxy compoundssecondary alcoholssulfuric acid monoesters |
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| Substituents | phenol ethermonocyclic benzene moietysulfuric acid monoesterethermethoxyphenol1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherorganic oxidealkyl sulfatealcoholorganic sulfuric acid or derivatives1-hydroxy-4-unsubstituted benzenoidmethoxybenzenearomatic homomonocyclic compoundorganic oxygen compoundanisolesecondary alcoholsulfate-esterhydrocarbon derivativephenoxy compoundsulfuric acid esterorganooxygen compound |
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