| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 06:08:13 UTC |
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| Update Date | 2025-03-24 16:41:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00934127 |
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| Frequency | 1.5 |
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| Structure | |
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| Chemical Formula | C22H35NO31S4 |
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| Molecular Mass | 937.0076 |
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| SMILES | CC(=O)NC1C(OC2OC(C(=O)O)C(O)C(O)C2OS(=O)(=O)O)C(COS(=O)(=O)O)OC(COS(=O)(=O)O)C(O)C1OC1OC(C(=O)O)C(O)C(O)C1OS(=O)(=O)O |
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| InChI Key | AXDRIKVTTVYYFC-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 derivativesglucuronic acid derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesoxepanespyran carboxylic acidssecondary alcoholssecondary carboxylic acid amidessulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarbonyl groupethercarboxylic acido-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 groupoxepaneoxacyclesecondary carboxylic acid amidepyransecondary alcoholdicarboxylic acid or derivativessulfate-esterhydrocarbon derivativeorganic nitrogen compoundsulfuric acid ester |
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