| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:28 UTC |
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| Update Date | 2025-03-25 00:54:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02206865 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H21NO18S2 |
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| Molecular Mass | 543.02 |
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| SMILES | O=C(O)C1OC(OC2C(O)OC(COS(=O)(=O)O)C(NS(=O)(=O)O)C2O)(C(=O)O)CC(O)C1O |
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| InChI Key | DHPXFDRIKCDONV-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | pyrans |
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| Subclass | pyran carboxylic acids and derivatives |
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| Direct Parent | pyran carboxylic acids |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alkyl sulfatesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshemiacetalshydrocarbon derivativesketalsmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanessecondary alcoholssulfuric acid monoamidessulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarbonyl groupcarboxylic acidmonosaccharidecarboxylic acid derivativebeta-hydroxy acidsaccharideorganic oxideacetalketalalkyl sulfatealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhemiacetaloxanealcoholpyran carboxylic acid or derivativesorganic sulfuric acid or derivativeshydroxy acidoxacycleorganic oxygen compoundsulfuric acid monoamidesecondary alcoholdicarboxylic acid or derivativessulfate-esterhydrocarbon derivativeorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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