| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:09:27 UTC |
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| Update Date | 2025-03-21 18:31:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00084794 |
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| Frequency | 33.8 |
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| Structure | |
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| Chemical Formula | C16H23NO8 |
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| Molecular Mass | 357.1424 |
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| SMILES | CN(C)CCc1ccc(OC2OC(C(=O)O)C(O)C(O)C2O)c(O)c1 |
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| InChI Key | JLHSHIRWWOFOTF-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 benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsamino acidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesphenethylaminesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcoholstrialkylamines |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acido-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidephenethylaminecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalorganonitrogen compoundorganopnictogen compoundoxanetertiary amineorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativestertiary aliphatic aminehydroxy acid1-hydroxy-4-unsubstituted benzenoidoxacyclemonocarboxylic acid or derivativespyransecondary alcoholphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundamine |
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