| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:07 UTC |
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| Update Date | 2025-03-25 00:47:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162688 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H18N2O11S |
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| Molecular Mass | 422.0631 |
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| SMILES | O=C(CO)Nc1ccccc1OC1OC(C(=O)O)C(O)C(O)C1NS(=O)(=O)O |
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| InChI Key | YBRCELJZNUWSTL-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 | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetalsanilidesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesn-arylamidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcoholssecondary carboxylic acid amidessulfuric acid monoamides |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundmonosacchariden-arylamidepyran carboxylic acidbeta-hydroxy acidsaccharideorganic oxideacetalorganonitrogen compoundorganopnictogen compounddelta amino acid or derivativesoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesorganic sulfuric acid or derivativeshydroxy acidcarboxamide groupanilideoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundpyransulfuric acid monoamidesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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