| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:48:51 UTC |
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| Update Date | 2025-03-21 18:01:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00035768 |
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| Frequency | 99.4 |
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| Structure | |
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| Chemical Formula | C15H21NO9 |
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| Molecular Mass | 359.1216 |
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| SMILES | CNCC(O)c1ccc(O)c(OC2OC(C(=O)O)C(O)C(O)C2O)c1 |
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| InChI Key | FDYGQDKKLUISNG-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 | 1-hydroxy-2-unsubstituted benzenoidsacetalsamino acidsaromatic alcoholsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkylaminesglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcohols |
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| Substituents | aromatic alcoholphenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acido-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compoundalcoholsecondary aliphatic aminepyran carboxylic acid or derivativeshydroxy acidsecondary amineoxacyclemonocarboxylic acid or derivativespyransecondary alcoholphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundamine |
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