| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:51:46 UTC |
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| Update Date | 2025-03-21 18:03:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00042776 |
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| Frequency | 79.8 |
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| Structure | |
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| Chemical Formula | C8H8O9S |
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| Molecular Mass | 279.9889 |
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| SMILES | O=C(OCOS(=O)(=O)O)c1c(O)cc(O)cc1O |
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| InChI Key | NKJVRBSLBAIWRB-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 | p-hydroxybenzoic acid alkyl 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 compoundsphloroglucinols and derivativessalicylic acid and derivativessulfuric acid monoestersvinylogous acidso-hydroxybenzoic acid esters |
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| Substituents | sulfuric acid monoesterbenzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativephloroglucinol derivativeorganic oxidealkyl sulfateorganic sulfuric acid or derivativesbenzenetriol1-hydroxy-4-unsubstituted benzenoidp-hydroxybenzoic acid alkyl esteraromatic 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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