| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:55:56 UTC |
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| Update Date | 2025-03-21 18:04:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00052646 |
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| Frequency | 61.8 |
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| Structure | |
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| Chemical Formula | C11H19NO19S3 |
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| Molecular Mass | 564.9713 |
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| SMILES | O=C(O)C1OC(OC2C(COS(=O)(=O)O)OC(O)C(NS(=O)(=O)O)C2O)C(OS(=O)(=O)O)C1O |
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| InChI Key | KPDFQXSYRRFJTI-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 | acetalsalkyl sulfatescarbonyl compoundscarboxylic acidshemiacetalshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanessecondary alcoholssulfuric acid monoamidessulfuric acid monoesterstetrahydrofurans |
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| Substituents | sulfuric acid monoestercarbonyl groupcarboxylic acidmonosaccharidecarboxylic acid derivativebeta-hydroxy acidsaccharideorganic oxideacetalalkyl sulfatealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhemiacetaloxaneorganoheterocyclic compoundalcoholorganic sulfuric acid or derivativestetrahydrofuranoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsulfuric acid monoamidesecondary alcoholsulfate-esterhydrocarbon derivativeorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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