| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:04:21 UTC |
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| Update Date | 2025-03-25 00:55:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02211398 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H18N2O7 |
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| Molecular Mass | 326.1114 |
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| SMILES | CC(=O)Nc1ccc(OC2C(N)OC(C(=O)O)C(O)C2O)cc1 |
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| InChI Key | ZQZUZEKEGMUUBA-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 | glucuronic acid derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsacetamidesacetanilidesalkyl aryl ethersbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshemiaminalshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesn-acetylarylaminesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidglucuronic acid or derivativesn-acetylarylaminearomatic heteromonocyclic compoundmonosacchariden-arylamidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acidhemiaminalbeta-hydroxy acidorganic oxideorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compoundacetamide1,2-diolalcoholpyran carboxylic acid or derivativesacetanilidehydroxy acidcarboxamide groupanilideoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativespyransecondary alcoholhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compound |
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