| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:05 UTC |
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| Update Date | 2025-03-25 00:50:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183237 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H10O7S |
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| Molecular Mass | 310.0147 |
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| SMILES | O=C(O)c1ccccc1OS(=O)(=O)Oc1ccc(O)cc1 |
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| InChI Key | LVWCZKZXDKUZAY-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | organic sulfuric acids and derivatives |
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| Subclass | arylsulfates |
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| Direct Parent | arylsulfates |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoidsbenzoic acidsbenzoyl derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsphenoxy compoundssulfuric acid diesters |
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| Substituents | monocyclic benzene moietycarboxylic acidbenzoyl1-hydroxy-2-unsubstituted benzenoidbenzoic acid or derivativescarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsulfuric acid diesterphenolhydrocarbon derivativearylsulfatebenzenoid1-carboxy-2-haloaromatic compoundbenzoic acidphenoxy compoundsulfuric acid esterorganooxygen compound |
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