| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:06:08 UTC |
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| Update Date | 2025-03-21 18:29:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00076861 |
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| Frequency | 38.3 |
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| Structure | |
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| Chemical Formula | C7H8O5S |
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| Molecular Mass | 204.0092 |
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| SMILES | COc1ccc(O)c(S(=O)(=O)O)c1 |
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| InChI Key | CDQTVTSDYVLCHM-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-sulfo,2-unsubstituted aromatic compounds4-alkoxyphenolsalkyl aryl ethersanisolesarylsulfonic acids and derivativesbenzenesulfonic acids and derivativesbenzenesulfonyl compoundshydrocarbon derivativesmethoxybenzenesorganic oxidesorganosulfonic acidsphenoxy compoundssulfonyls |
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| Substituents | phenol etherorganosulfonic acid or derivativesmonocyclic benzene moietyetherorganosulfonic acidmethoxyphenol1-hydroxy-2-unsubstituted benzenoidbenzenesulfonatealkyl aryl etherorganosulfur compoundorganic oxidebenzenesulfonyl group4-alkoxyphenol1-sulfo,2-unsubstituted aromatic compoundmethoxybenzenearomatic homomonocyclic compoundsulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativesanisolehydrocarbon derivativephenoxy compoundorganooxygen compound |
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