| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:00 UTC |
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| Update Date | 2025-03-21 18:39:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00124629 |
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| Frequency | 20.6 |
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| Structure | |
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| Chemical Formula | C19H23NO9 |
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| Molecular Mass | 409.1373 |
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| SMILES | CC(=O)NC1C(Oc2ccc(CC3CCC(=O)O3)cc2)OC(C(=O)O)C(O)C1O |
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| InChI Key | AJLQXBKTLYNFGU-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbohydrates and carbohydrate conjugates |
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| Direct Parent | n-acyl-alpha-hexosamines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsacetalsacetamidesalkyl glycosidesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesfatty acyl glycosides of mono- and disaccharidesgamma butyrolactoneshydrocarbon derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcoholssecondary carboxylic acid amidestetrahydrofurans |
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| Substituents | fatty acyl glycoside of mono- or disaccharidephenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundmonosaccharidecarboxylic acid derivativepyran carboxylic acidn-acyl-alpha-hexosaminelactonebeta-hydroxy acidorganic oxideacetalorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compoundacetamide1,2-diolalcoholpyran carboxylic acid or derivativestetrahydrofuranhydroxy acidcarboxamide groupgamma butyrolactoneoxacyclesecondary carboxylic acid amidepyrancarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundalkyl glycoside |
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