| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:45 UTC |
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| Update Date | 2025-03-25 00:47:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02161873 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H21NO14S |
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| Molecular Mass | 435.0683 |
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| SMILES | O=C(O)C1OC(OCC2OC(O)C(O)C(O)C2O)C(NS(=O)(=O)O)C(O)C1O |
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| InChI Key | RSQWIWYJEARRPE-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | delta amino acids and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | acetalsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshemiacetalshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholssulfuric acid monoamides |
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| Substituents | carbonyl groupcarboxylic acidmonosaccharidepyran carboxylic acidbeta-hydroxy acidsaccharideorganic oxideacetalaliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhemiacetaldelta amino acid or derivativesoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesorganic sulfuric acid or derivativeshydroxy acidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyransulfuric acid monoamidesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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