| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:07 UTC |
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| Update Date | 2025-03-21 18:38:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00120239 |
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| Frequency | 21.6 |
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| Structure | |
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| Chemical Formula | C17H22N2O8 |
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| Molecular Mass | 382.1376 |
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| SMILES | O=C(Nc1ccc(OC2OC(C(=O)O)C(O)C(O)C2O)cc1)C1CCCN1 |
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| InChI Key | OMOKVAYIQFHXGX-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 | acetalsalpha amino acid amidesalpha amino acidsamino acidsanilidesazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkylaminesglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesn-arylamidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesphenol ethersphenoxy compoundsproline and derivativespyran carboxylic acidspyrrolidinecarboxamidessecondary alcoholssecondary carboxylic acid amides |
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| Substituents | phenol ethermonocyclic benzene moietycarboxylic acidamino acid or derivativeso-glucuronidemonosaccharidealpha-amino acid or derivativespyran carboxylic acid1-o-glucuronidebeta-hydroxy acidacetalorganonitrogen compoundalpha-amino acidoxaneorganoheterocyclic compoundalcoholsecondary aliphatic aminealpha-amino acid amideazacyclesecondary carboxylic acid amidepyrrolidine carboxylic acid or derivativeshydrocarbon derivativepyrrolidine-2-carboxamidephenoxy compoundaminecarbonyl grouparomatic heteromonocyclic compoundamino acidn-arylamidecarboxylic acid derivativeorganic oxideorganopnictogen compoundpyrrolidineproline or derivativespyran carboxylic acid or derivativeshydroxy acidsecondary aminecarboxamide groupanilideoxacyclemonocarboxylic acid or derivativespyransecondary alcoholbenzenoidorganic nitrogen compound |
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