| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:08 UTC |
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| Update Date | 2025-03-25 00:57:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02222491 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H20N2O9 |
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| Molecular Mass | 396.1169 |
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| SMILES | O=C1CNC(=O)C(Cc2cccc(OC3OC(C(=O)O)C(O)C(O)C3O)c2)N1 |
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| InChI Key | YTYZCIVFZCLGBO-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 | 2,5-dioxopiperazinesacetalsalpha amino acidsazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativeshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundo-glucuronidemonosaccharidealpha-amino acid or derivatives2,5-dioxopiperazinecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxidedioxopiperazineacetalpiperazineorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesazacyclehydroxy acidcarboxamide groupoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativespyran1,4-diazinanesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compound |
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