| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:11 UTC |
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| Update Date | 2025-03-25 00:50:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183473 |
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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 | O=C(O)c1ccc(S(=O)(=O)OCCO)cc1 |
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| InChI Key | AWDAGOXDNSZHJE-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 | alcohols and polyolsarylsulfonic acids and derivativesbenzenesulfonyl compoundsbenzoic acidsbenzoyl derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganosulfonic acid esterssulfonyls |
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| Substituents | alcoholorganosulfonic acid or derivativesbenzenesulfonate estercarboxylic acidbenzoylbenzoic acid or derivativesorganosulfur compoundcarboxylic acid derivativeorganosulfonic acid esteraromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativessulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativeshydrocarbon derivativebenzoic acidorganooxygen compoundbenzenesulfonyl group |
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