| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:07:21 UTC |
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| Update Date | 2025-03-21 18:29:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00079867 |
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| Frequency | 36.5 |
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| Structure | |
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| Chemical Formula | C12H21NO20S3 |
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| Molecular Mass | 594.9819 |
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| SMILES | O=C(O)C1OC(OC2C(COS(=O)(=O)O)OC(O)C(NS(=O)(=O)O)C2O)OC(COS(=O)(=O)O)C1O |
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| InChI Key | ADLGKNWTQCEKTH-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 | hydroxy acids and derivatives |
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| Subclass | beta hydroxy acids and derivatives |
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| Direct Parent | beta hydroxy acids and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,3-dioxanesalkyl sulfatescarbonyl compoundscarboxylic acid orthoesterscarboxylic acidshemiacetalshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsortho estersoxacyclic compoundsoxanessecondary alcoholssulfuric acid monoamidessulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarbonyl groupcarboxylic acidortho estermonosaccharidecarboxylic acid orthoestercarboxylic acid derivativebeta-hydroxy acidsaccharideorganic oxidealkyl sulfatealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhemiacetalorthocarboxylic acid derivativeoxaneorganoheterocyclic compoundalcoholorganic sulfuric acid or derivativesoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsulfuric acid monoamidesecondary alcoholsulfate-esterhydrocarbon derivativeorganic nitrogen compoundsulfuric acid estermeta-dioxaneorganooxygen compound |
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