| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:06:50 UTC |
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| Update Date | 2025-03-25 00:56:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02217119 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H25NO12S |
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| Molecular Mass | 455.1097 |
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| SMILES | CC1(C)OC2COC3(COS(=O)(=O)NC(CC(=O)O)C(=O)O)OC(C)(C)OC3C2O1 |
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| InChI Key | YWSHSJOTKINSDN-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 | aspartic acid and derivatives |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | 1,3-dioxolanesalpha amino acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesdioxolopyransheterocyclic fatty acidshydrocarbon derivativesketalsmonosaccharidesorganic oxidesorganic sulfuric acids and derivativesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesshort-chain hydroxy acids and derivatives |
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| Substituents | fatty acylmeta-dioxolanecarbonyl groupcarboxylic acidshort-chain hydroxy acidheterocyclic fatty acidmonosaccharidefatty acidaliphatic heteropolycyclic compoundsaccharideorganic oxideacetalketalorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxanedioxolopyranorganoheterocyclic compoundorganic sulfuric acid or derivativesoxacycleorganic oxygen compoundaspartic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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