| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:27 UTC |
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| Update Date | 2025-03-25 00:48:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02170303 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H31NO27S3 |
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| Molecular Mass | 813.0246 |
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| SMILES | CC(=O)NC1C(O)C(OC2OC(C(=O)O)C(O)C(O)C2OS(=O)(=O)O)C(O)C(OS(=O)(=O)O)C1OC1OC(C(=O)O)C(O)C(O)C1OS(=O)(=O)O |
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| InChI Key | OVWSJYUPQRAEAS-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 | acetalsacetamidesalkyl sulfatesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidscyclitols and derivativescyclohexanolsdicarboxylic acids and derivativesglucuronic acid derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssecondary carboxylic acid amidessulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarbonyl groupcarboxylic acido-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalalkyl sulfatealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compoundacetamidealcoholpyran carboxylic acid or derivativesorganic sulfuric acid or derivativescyclohexanolcyclitol or derivativeshydroxy acidcyclic alcoholcarboxamide groupoxacyclesecondary carboxylic acid amidepyransecondary alcoholdicarboxylic acid or derivativessulfate-esterhydrocarbon derivativeorganic nitrogen compoundsulfuric acid ester |
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