| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:41:54 UTC |
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| Update Date | 2025-03-25 01:09:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02296939 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C34H57N3O27S |
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| Molecular Mass | 971.29 |
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| SMILES | CC(=O)NC1C(O)CC(OCC2OC(OC3C(O)C(NC(C)=O)C(OC4C(O)C(CO)OC(COS(=O)(=O)O)C4O)C(NC(C)=O)C3O)C(O)C(O)C2O)(C(=O)O)OC1C(O)C(O)CO |
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| InChI Key | XYWSHARLQSJZGN-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 | streptamine aminoglycosides |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | acetamidesalkyl sulfatesc-glucuronidescarbonyl compoundscarboxylic acidscyclitols and derivativescyclohexanolsdialkyl ethershydrocarbon derivativesketalsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholspyran carboxylic acidssecondary carboxylic acid amidessulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarbonyl groupethercarboxylic acidmonosaccharidecarboxylic acid derivativepyran carboxylic aciddialkyl etherorganic oxideacetalketalstreptamine aminoglycosidealkyl 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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