| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:24 UTC |
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| Update Date | 2025-03-25 00:46:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02154444 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H10O6S |
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| Molecular Mass | 246.0198 |
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| SMILES | COc1cc(C=CS(=O)(=O)O)cc(O)c1O |
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| InChI Key | AQQCKDVGMXWFAS-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 ethersanisoleshydrocarbon derivativesmethoxybenzenesorganic oxidesorganosulfonic acidsphenoxy compoundssulfonyls |
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| Substituents | phenol etherorganosulfonic acid or derivativesmonocyclic benzene moietyetherorganosulfonic acidmethoxyphenol1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidalkyl aryl etherorganosulfur compoundmethoxybenzenearomatic homomonocyclic compoundorganic oxidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativesanisolehydrocarbon derivativephenoxy compoundorganooxygen compound |
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