| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:45:29 UTC |
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| Update Date | 2025-03-21 18:00:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00027808 |
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| Frequency | 136.0 |
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| Structure | |
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| Chemical Formula | C15H19NO8 |
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| Molecular Mass | 341.1111 |
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| SMILES | COC(=O)C1OC(Oc2ccc(NC(C)=O)cc2)C(O)C(O)C1O |
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| InChI Key | PBCDFJAIFOUUBQ-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 | acetalsacetamidesacetanilidesbeta hydroxy acids and derivativescarbonyl compoundsglucuronic acid derivativeshydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesmonosaccharidesn-acetylarylaminesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupn-acetylarylaminearomatic heteromonocyclic compoundo-glucuronidemonosacchariden-arylamidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxidemethyl esteracetalorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compoundacetamidealcoholpyran carboxylic acid or derivativesacetanilidehydroxy acidcarboxamide groupanilideoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativespyrancarboxylic acid estersecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compound |
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