| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:13 UTC |
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| Update Date | 2025-03-25 00:49:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02176706 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H10O7S |
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| Molecular Mass | 322.0147 |
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| SMILES | O=C(O)c1ccc(S(=O)(=O)Oc2ccccc2C(=O)O)cc1 |
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| InChI Key | HVMSSVPHNBIVFK-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 | 1-carboxy-2-haloaromatic compoundsarylsulfonic acids and derivativesbenzenesulfonyl compoundsbenzoic acidsbenzoyl derivativesdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganosulfonic acid estersphenoxy compoundssulfonyls |
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| Substituents | organosulfonic acid or derivativesbenzenesulfonate estercarboxylic acidbenzoylorganosulfur compoundcarboxylic acid derivativeorganic oxide1-carboxy-2-haloaromatic compoundbenzoic acidbenzenesulfonyl groupbenzoic acid or derivativesorganosulfonic acid esteraromatic homomonocyclic compoundsulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativephenoxy compoundorganooxygen compound |
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