| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:27 UTC |
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| Update Date | 2025-03-25 00:46:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02154562 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H12O5S2 |
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| Molecular Mass | 264.0126 |
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| SMILES | COc1ccc(C(OS(=O)(=O)O)SC)cc1 |
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| InChI Key | UBDUETRBQHGJQO-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 | phenol ethers |
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| Subclass | anisoles |
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| Direct Parent | anisoles |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersalkyl sulfateshydrocarbon derivativesmethoxybenzenesorganic oxidesphenoxy compoundssulfenyl compoundssulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoesteretherorganic sulfuric acid or derivativessulfenyl compoundalkyl aryl etherorganosulfur compoundmethoxybenzenearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundanisolealkyl sulfatesulfate-esterhydrocarbon derivativephenoxy compoundsulfuric acid esterorganooxygen compound |
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