| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:37:31 UTC |
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| Update Date | 2025-03-21 17:57:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00009705 |
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| Frequency | 493.2 |
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| Structure | |
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| Chemical Formula | C9H12O7S |
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| Molecular Mass | 264.0304 |
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| SMILES | COc1ccc(C(CO)OS(=O)(=O)O)cc1O |
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| InChI Key | YQCIHNXFQHNQQE-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 compoundsprimary alcoholssulfuric acid monoesters |
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| Substituents | phenol ethermonocyclic benzene moietysulfuric acid monoesterether1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherorganic oxidealkyl sulfateprimary alcoholalcoholorganic sulfuric acid or derivatives1-hydroxy-4-unsubstituted benzenoidmethoxybenzenearomatic homomonocyclic compoundorganic oxygen compoundanisolesulfate-esterhydrocarbon derivativephenoxy compoundsulfuric acid esterorganooxygen compound |
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