| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:51:35 UTC |
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| Update Date | 2025-03-21 18:03:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00042324 |
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| Frequency | 80.8 |
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| Structure | |
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| Chemical Formula | C9H8O8S |
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| Molecular Mass | 275.994 |
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| SMILES | O=C(O)c1ccccc1C(=O)OCOS(=O)(=O)O |
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| InChI Key | YQNUEFQSUPOEQI-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 acid esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsalkyl sulfatesbenzoic acidsbenzoyl derivativescarboxylic acid estersdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganooxygen compoundssulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarboxylic acidorganic sulfuric acid or derivativesbenzoylbenzoate estercarboxylic acid derivativearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundcarboxylic acid esteralkyl sulfatedicarboxylic acid or derivativessulfate-esterhydrocarbon derivative1-carboxy-2-haloaromatic compoundbenzoic acidsulfuric acid esterorganooxygen compound |
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