Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:15:15 UTC |
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Update Date | 2025-03-21 18:34:00 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00098671 |
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Frequency | 27.9 |
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Structure | |
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Chemical Formula | C8H8O8S |
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Molecular Mass | 263.994 |
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SMILES | O=C(OCOS(=O)(=O)O)c1c(O)cccc1O |
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InChI Key | HPKBPJUZGAXVKG-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 | o-hydroxybenzoic acid esters |
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Geometric Descriptor | aromatic homomonocyclic compounds |
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Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl sulfatesbenzoyl derivativescarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsresorcinolssalicylic acid and derivativessulfuric acid monoestersvinylogous acids |
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Substituents | sulfuric acid monoesterbenzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeresorcinolorganic oxidealkyl sulfateorganic sulfuric acid or derivatives1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundvinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundsalicylic acid or derivativeso-hydroxybenzoic acid estercarboxylic acid estersulfate-esterphenolhydrocarbon derivativesulfuric acid esterorganooxygen compound |
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