| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:57 UTC |
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| Update Date | 2025-03-25 00:53:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02198829 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H17NO8 |
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| Molecular Mass | 351.0954 |
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| SMILES | O=CCc1c[nH]c2ccc(OC3C(O)OC(C(=O)O)C(O)C3O)cc12 |
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| InChI Key | OVOLQFGUTHIFJD-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 | glucuronic acid derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,2-diolsalkyl aryl ethersalpha-hydrogen aldehydesazacyclic compoundsbeta hydroxy acids and derivativescarboxylic acidshemiacetalsheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenol etherspyran carboxylic acidspyrrolessecondary alcohols |
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| Substituents | phenol ethercarbonyl groupethercarboxylic acidglucuronic acid or derivativesindolemonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acidbeta-hydroxy acidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhemiacetaloxaneorganoheterocyclic compound1,2-diolalcoholpyran carboxylic acid or derivativesazacycleheteroaromatic compoundindole or derivativesaldehydehydroxy acidoxacyclemonocarboxylic acid or derivativesalpha-hydrogen aldehydepyranpyrrolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compound |
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