| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:54 UTC |
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| Update Date | 2025-03-25 00:55:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02210298 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H23NO19S2 |
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| Molecular Mass | 585.0306 |
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| SMILES | CC(=O)NC1C(O)C(C(=O)O)OC(COS(=O)(=O)O)C1OC1OC(C(=O)O)C(O)C(O)C1OS(=O)(=O)O |
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| InChI Key | IPXXOBHYZXPGME-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 acidsdialkyl ethersdicarboxylic acids and derivativesgamma amino acids and derivativesglucuronic acid derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholssecondary carboxylic acid amidessulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarbonyl groupethercarboxylic acidgamma amino acid or derivativeso-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic aciddialkyl ether1-o-glucuronidebeta-hydroxy acidorganic oxideacetalalkyl sulfatealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compoundacetamidealcoholpyran 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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