| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 07:02:24 UTC |
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| Update Date | 2025-03-24 19:52:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01063094 |
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| Frequency | 1.3 |
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| Structure | |
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| Chemical Formula | C29H49NO33S3 |
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| Molecular Mass | 1035.1349 |
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| SMILES | CC(=O)NC1C(O)CC(OC2C(O)C(COS(=O)(=O)O)OC(OC3C(CO)OC(OC4C(O)C(O)OC(COS(=O)(=O)O)C4O)OC3COS(=O)(=O)O)C2O)(C(=O)O)OC1C(O)C(O)CO |
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| InChI Key | VPVAJFQTKIMMDL-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbohydrates and carbohydrate conjugates |
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| Direct Parent | c-glucuronides |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,3-dioxanesacetamidesalkyl sulfatescarbonyl compoundscarboxylic acid orthoesterscarboxylic acidshemiacetalshydrocarbon derivativesketalsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsortho estersoxacyclic compoundsoxanesprimary alcoholspyran carboxylic acidssecondary alcoholssecondary carboxylic acid amidessulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarbonyl groupcarboxylic acidortho estermonosaccharidecarboxylic acid orthoestercarboxylic acid derivativepyran carboxylic acidorganic oxideacetalketalalkyl sulfatealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhemiacetalorthocarboxylic acid derivativeoxaneprimary alcoholorganoheterocyclic compoundacetamidec-glucuronidealcoholpyran carboxylic acid or derivativesorganic sulfuric acid or derivativescarboxamide groupoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativespyransecondary alcoholsulfate-esterhydrocarbon derivativeorganic nitrogen compoundsulfuric acid estermeta-dioxane |
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