| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:58:46 UTC |
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| Update Date | 2025-03-21 18:05:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00059232 |
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| Frequency | 53.1 |
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| Structure | |
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| Chemical Formula | C14H17NO9 |
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| Molecular Mass | 343.0903 |
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| SMILES | CC(=O)Nc1ccc(O)c(OC2OC(C(=O)O)C(O)C(O)C2O)c1 |
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| InChI Key | BBEGGLXOOYJYCF-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 | o-glucuronides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsacetalsacetamidesacetanilidesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesn-acetylarylaminesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidn-acetylarylaminearomatic heteromonocyclic compoundo-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosacchariden-arylamidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compoundacetamidealcoholpyran carboxylic acid or derivativesacetanilidehydroxy acidcarboxamide groupanilideoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativespyransecondary alcoholphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compound |
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