| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:53 UTC |
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| Update Date | 2025-03-25 00:47:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162180 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H14O12S |
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| Molecular Mass | 382.0206 |
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| SMILES | O=C(O)C1OC(O)(Cc2cc(O)c(O)c(OS(=O)(=O)O)c2)C(O)C1O |
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| InChI Key | JCQXQLDOMQWBME-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 heteromonocyclic compounds |
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| Alternative Parents | 1,2-diols1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshemiacetalshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsphenoxy compoundssecondary alcoholssulfuric acid monoesterstetrahydrofurans |
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| Substituents | monocyclic benzene moietysulfuric acid monoestercarbonyl groupcarboxylic acidaromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativephenylsulfatebeta-hydroxy acidsaccharideorganic oxidehemiacetalorganoheterocyclic compound1,2-diolalcoholtetrahydrofuranhydroxy acid1-hydroxy-4-unsubstituted benzenoidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholsulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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