| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 16:46:13 UTC |
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| Update Date | 2025-03-25 01:34:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02446783 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C34H57N3O28S2 |
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| Molecular Mass | 1019.257 |
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| SMILES | CC(=O)NC1C(O)CC(COS(=O)(=O)O)OC1OC1C(O)C(COC2(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O2)C(O)C(OC2OC(COS(=O)(=O)O)CC(O)C2NC(C)=O)C1O |
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| InChI Key | HWMFVYWYJSZZGC-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 | acetamidesalkyl sulfatescarbonyl compoundscarboxylic acidscyclitols and derivativescyclohexanolshydrocarbon derivativesketalsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholspyran carboxylic acidssecondary carboxylic acid amidessulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarbonyl groupcarboxylic acidcarboxylic acid derivativepyran carboxylic acidorganic oxideacetalketalalkyl sulfatealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundoxaneprimary alcoholorganoheterocyclic compoundacetamidec-glucuronidealcoholpyran carboxylic acid or derivativesorganic sulfuric acid or derivativescyclohexanolcyclitol or derivativescyclic alcoholcarboxamide groupoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativespyransecondary alcoholsulfate-esterhydrocarbon derivativeorganic nitrogen compoundsulfuric acid ester |
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