| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:12 UTC |
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| Update Date | 2025-03-25 00:58:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02233754 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H29NO10S |
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| Molecular Mass | 487.1512 |
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| SMILES | NC(CCSCC1OC(Oc2ccc(CC3CCC(=O)O3)cc2O)C(O)C(O)C1O)C(=O)O |
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| InChI Key | KYVNGVNIFIDMLQ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acyl glycosides |
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| Direct Parent | fatty acyl glycosides of mono- and disaccharides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsalkyl glycosidesalpha amino acidscarbonyl compoundscarboxylic acid esterscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativesfatty acylsgamma butyrolactoneshydrocarbon derivativeshydroxy fatty acidsmonoalkylaminesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenol ethersphenoxy compoundssecondary alcoholssulfenyl compoundstetrahydrofuransthia fatty acids |
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| Substituents | fatty acyl glycoside of mono- or disaccharidephenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidmonosaccharidealpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivativelactonesaccharideorganic oxideacetalorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidoxaneorganoheterocyclic compoundalcoholsulfenyl compoundtetrahydrofurandialkylthioether1-hydroxy-4-unsubstituted benzenoidgamma butyrolactoneoxacyclethia fatty acidorganic oxygen compoundthioethercarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compoundalkyl glycoside |
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