| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:40 UTC |
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| Update Date | 2025-03-25 00:50:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02182322 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H32N2O30S5 |
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| Molecular Mass | 915.9643 |
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| SMILES | O=C(O)C1OC(OC2C(COS(=O)(=O)O)OC(OC3C(COS(=O)(=O)O)OC(O)C(NS(=O)(=O)O)C3O)C(OS(=O)(=O)O)C2O)C(NS(=O)(=O)O)C(O)C1O |
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| InChI Key | GRUFAFUHVKAOSB-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 | acetalsalkyl sulfatesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshemiacetalshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholssulfuric acid monoamidessulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarbonyl groupcarboxylic acidmonosaccharidepyran carboxylic acidbeta-hydroxy acidsaccharideorganic oxideacetalalkyl sulfatealiphatic 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 alcoholsulfate-esterhydrocarbon derivativeorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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