| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:11 UTC |
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| Update Date | 2025-03-25 00:56:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02220306 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H14O4S |
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| Molecular Mass | 278.0613 |
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| SMILES | COc1ccccc1OS(=O)(=O)c1ccccc1C |
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| InChI Key | HIMOXLALFBEDCQ-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 | benzene and substituted derivatives |
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| Subclass | benzenesulfonic acids and derivatives |
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| Direct Parent | benzenesulfonate esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolesarylsulfonic acids and derivativesbenzenesulfonyl compoundshydrocarbon derivativesmethoxybenzenesorganic oxidesorganosulfonic acid estersphenoxy compoundssulfonylstoluenes |
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| Substituents | phenol etherorganosulfonic acid or derivativesbenzenesulfonate esteretheralkyl aryl etherorganosulfur compoundmethoxybenzeneorganosulfonic acid esteraromatic homomonocyclic compoundorganic oxidesulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativesanisolehydrocarbon derivativephenoxy compoundtolueneorganooxygen compoundbenzenesulfonyl group |
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