| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:48 UTC |
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| Update Date | 2025-03-25 01:02:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02253456 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H16N2O7 |
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| Molecular Mass | 336.0958 |
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| SMILES | Nc1ccnc2cccc(OC3OC(C(=O)O)C(O)C(O)C3O)c12 |
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| InChI Key | JPRWYMPEFNSZRO-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-halopyridinesacetalsamino acidsazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesphenol etherspolyhalopyridinesprimary aminespyran carboxylic acidsquinolines and derivativessecondary alcohols |
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| Substituents | phenol ethercarbonyl groupcarboxylic acidamino acid or derivativesamino acidpolyhalopyridineo-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundquinolineorganopnictogen compound2-halopyridineoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesazacycleheteroaromatic compoundhydroxypyridinehydroxy acidoxacyclemonocarboxylic acid or derivativespyridinepyransecondary alcoholhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundamine |
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