| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:39 UTC |
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| Update Date | 2025-03-21 18:39:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00126228 |
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| Frequency | 20.3 |
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| Structure | |
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| Chemical Formula | C10H10O8S |
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| Molecular Mass | 290.0096 |
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| SMILES | O=C(CC(O)c1ccccc1C(=O)O)OS(=O)(=O)O |
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| InChI Key | IRLHPQPKIDSWIE-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 | benzoic acids and derivatives |
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| Direct Parent | benzoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsaromatic alcoholsbenzoyl derivativesbeta hydroxy acids and derivativescarbonyl compoundsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidessecondary alcoholssulfuric acid monoesters |
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| Substituents | aromatic alcoholalcoholsulfuric acid monoestercarbonyl groupcarboxylic acidorganic sulfuric acid or derivativesbenzoylhydroxy acidcarboxylic acid derivativearomatic homomonocyclic compoundbeta-hydroxy acidorganic oxideorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivative1-carboxy-2-haloaromatic compoundbenzoic acidsulfuric acid esterorganooxygen compound |
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