| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:20 UTC |
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| Update Date | 2025-03-25 00:56:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02220662 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H5IO7S |
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| Molecular Mass | 359.8801 |
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| SMILES | O=C(O)c1c(O)ccc(I)c1OS(=O)(=O)O |
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| InChI Key | RLMMBRZEJPUYSY-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 | phenylsulfates |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoids3-halobenzoic acidsaryl iodidesbenzoic acidsbenzoyl derivativeshalobenzoic acidshalophenolshydrocarbon derivativesiodobenzenesmonocarboxylic acids and derivativesorganic oxidesorganoiodidesorganooxygen compoundsp-iodophenolsphenoxy compoundssalicylic acidssulfuric acid monoestersvinylogous acids |
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| Substituents | monocyclic benzene moietysulfuric acid monoestercarboxylic acid3-halobenzoic acid or derivativesbenzoyl1-hydroxy-2-unsubstituted benzenoidsalicylic acidcarboxylic acid derivativeorganohalogen compoundiodobenzene4-iodophenolorganoiodidephenylsulfateorganic oxide3-halobenzoic acid4-halophenol1-carboxy-2-haloaromatic compoundbenzoic acidhalobenzoic acidbenzoic acid or derivativeshalobenzoic acid or derivativesaryl halidehydroxybenzoic acidaromatic homomonocyclic compoundvinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundsalicylic acid or derivativessulfate-esterphenolhydrocarbon derivativebenzenoidaryl iodidehalobenzenephenoxy compoundsulfuric acid esterorganooxygen compound |
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