| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:56:41 UTC |
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| Update Date | 2025-03-25 00:52:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02193664 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H22N2O8 |
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| Molecular Mass | 418.1376 |
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| SMILES | CCc1ncccc1C(=O)Nc1ccc(OC2OC(C(=O)O)C(O)C(O)C2O)cc1 |
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| InChI Key | DSTKGHODZLULFB-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | anilides |
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| Direct Parent | aromatic anilides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesacetalsazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesmonocarboxylic acids and derivativesmonosaccharidesnicotinamideso-glucuronidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenol ethersphenoxy compoundspolyhalopyridinespyran carboxylic acidspyridinecarboxylic acids and derivativessecondary alcoholssecondary carboxylic acid amides |
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| Substituents | pyridine carboxylic acid or derivativesphenol ethercarbonyl groupcarboxylic acidglucuronic acid or derivativesaromatic heteromonocyclic compoundpolyhalopyridinenicotinamideo-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidearomatic anilidebeta-hydroxy acidsaccharideorganic oxideacetalorganonitrogen compoundorganopnictogen compound2-halopyridineoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesazacycleheteroaromatic compoundhydroxypyridinemethylpyridinehydroxy acidcarboxamide groupoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativespyridineorganic oxygen compoundpyransecondary alcoholhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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