| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:01:18 UTC |
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| Update Date | 2025-03-21 18:06:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00065259 |
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| Frequency | 47.0 |
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| Structure | |
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| Chemical Formula | C16H19NO8 |
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| Molecular Mass | 353.1111 |
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| SMILES | O=C1CCC(c2ccc(OC3OC(C(=O)O)C(O)C(O)C3O)cc2)N1 |
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| InChI Key | CTWGGQFUFKJFGP-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 | acetalsazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativeshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenol ethersphenoxy compoundsphenylpyrrolidinespyran carboxylic acidspyrrolespyrrolidine-2-onessecondary alcoholssecondary carboxylic acid amides |
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| Substituents | 2-pyrrolidonephenol ethermonocyclic benzene moietycarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundo-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalorganonitrogen compoundorganopnictogen compoundoxanepyrrolidinepyrrolidoneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesazacycle2-phenylpyrrolidinehydroxy acidcarboxamide groupoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativespyranpyrrolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compound |
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