| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:12 UTC |
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| Update Date | 2025-03-25 00:46:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153992 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H8O9S2 |
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| Molecular Mass | 299.961 |
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| SMILES | COc1cccc(OS(=O)(=O)OS(=O)(=O)O)c1O |
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| InChI Key | YDXICWTVLSCYLY-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-4-unsubstituted benzenoidsalkyl aryl ethersanisolesarylsulfateshydrocarbon derivativesmethoxybenzenesorganic oxidesorganic pyrosulfatesphenoxy compounds |
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| Substituents | phenol ethermonocyclic benzene moietyetherorganic sulfuric acid or derivativesorganic pyrosulfatemethoxyphenol1-hydroxy-4-unsubstituted benzenoidalkyl aryl ethermethoxybenzenearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundanisolehydrocarbon derivativearylsulfatephenoxy compoundorganooxygen compound |
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