| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:44 UTC |
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| Update Date | 2025-03-25 00:48:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02166435 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H18N2O8 |
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| Molecular Mass | 378.1063 |
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| SMILES | CC(=O)Nc1ccnc2c(OC3OC(C(=O)O)C(O)C(O)C3O)cccc12 |
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| InChI Key | GZNKQRRADCJJIN-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 heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesacetalsacetamidesazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesmonocarboxylic acids and derivativesmonosaccharidesn-acetylarylaminesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesphenol etherspolyhalopyridinespyran carboxylic acidsquinolines and derivativessecondary alcoholssecondary carboxylic acid amides |
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| Substituents | phenol ethercarbonyl groupcarboxylic acidn-acetylarylaminepolyhalopyridineo-glucuronidemonosacchariden-arylamidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundquinolineorganopnictogen compound2-halopyridineoxaneorganoheterocyclic compoundacetamidealcoholpyran carboxylic acid or derivativesazacycleheteroaromatic compoundhydroxypyridinemethylpyridinehydroxy acidcarboxamide groupoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativespyridinepyransecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compound |
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