| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:51:06 UTC |
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| Update Date | 2025-03-21 18:02:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00041128 |
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| Frequency | 83.7 |
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| Structure | |
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| Chemical Formula | C8H8O7S |
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| Molecular Mass | 247.9991 |
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| SMILES | O=C(O)c1ccccc1C(O)OS(=O)(=O)O |
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| InChI Key | RUSXSQVCGLVUDK-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 compoundsalkyl sulfatesaromatic alcoholsbenzoyl derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundssulfuric acid monoesters |
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| Substituents | aromatic alcoholsulfuric acid monoestercarboxylic acidorganic sulfuric acid or derivativesbenzoylcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundalkyl sulfatesulfate-esterhydrocarbon derivative1-carboxy-2-haloaromatic compoundbenzoic acidsulfuric acid esterorganooxygen compound |
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