| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 17:09:20 UTC |
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| Update Date | 2025-03-25 01:44:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02500884 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C25H41NO32S3 |
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| Molecular Mass | 963.0774 |
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| SMILES | COC1OC(COS(=O)(=O)O)C(OC2OC(C(=O)O)C(OC3OC(CO)C(O)C(O)C3O)C(OC3OC(C(=O)O)C(O)C(O)C3OS(=O)(=O)O)C2O)C(O)C1NOS(=O)(=O)O |
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| InChI Key | PQZITIRIGRZNQU-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acyl glycosides |
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| Direct Parent | fatty acyl glycosides of mono- and disaccharides |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | acetalsalkyl sulfatesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesglucuronic acid derivativeshydrocarbon derivativesmonosaccharideso-glucuronidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholspyran carboxylic acidssecondary alcoholssulfuric acid monoesters |
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| Substituents | fatty acyl glycoside of mono- or disaccharidesulfuric acid monoestercarbonyl groupcarboxylic acidglucuronic acid or derivativeso-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetalalkyl sulfatealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundoxaneprimary alcoholorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesorganic sulfuric acid or derivativeshydroxy acidoxacycleorganic oxygen compoundpyransecondary alcoholdicarboxylic acid or derivativessulfate-esterhydrocarbon derivativeorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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