| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 16:53:05 UTC |
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| Update Date | 2025-03-25 01:36:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02462589 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C31H52N2O32S2 |
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| Molecular Mass | 1028.1945 |
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| SMILES | COC1OC(COS(=O)(=O)O)C(OC2OC(C(=O)O)C(O)C(OC3OC(C(O)CO)C(O)C(OC4(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O4)C3O)C2O)C(O)C1NOS(=O)(=O)O |
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| InChI Key | BEJQMPJNSTYHGJ-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 | o-glucuronides |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | acetamidesalkyl sulfatesbeta hydroxy acids and derivativesc-glucuronidescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesglucuronic acid derivativeshydrocarbon derivativesketalsmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholspyran carboxylic acidssecondary alcoholssecondary carboxylic acid amidessulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarbonyl groupcarboxylic acido-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalketalalkyl sulfatealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundoxaneprimary alcoholorganoheterocyclic compoundacetamidec-glucuronidealcoholpyran carboxylic acid or derivativesorganic sulfuric acid or derivativeshydroxy acidcarboxamide groupoxacyclesecondary carboxylic acid amidepyransecondary alcoholdicarboxylic acid or derivativessulfate-esterhydrocarbon derivativeorganic nitrogen compoundsulfuric acid ester |
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