| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:42 UTC |
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| Update Date | 2025-03-25 01:02:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02253229 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H25NO10 |
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| Molecular Mass | 427.1478 |
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| SMILES | O=C(O)C1OC(Oc2ccc(CCN3CCCC3C(=O)O)cc2O)C(O)C(O)C1O |
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| InChI Key | AFPAKFORQOUMJU-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 benzenoidsacetalsalpha amino acidsamino acidsazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesglucuronic acid derivativeshydrocarbon derivativesmonosaccharidesn-alkylpyrrolidinesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesphenethylaminesphenol ethersphenoxy compoundsproline and derivativespyran carboxylic acidspyrrolidine carboxylic acidssecondary alcoholstrialkylamines |
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| Substituents | phenol ethermonocyclic benzene moietycarboxylic acidamino acid or derivativeso-glucuronidemonosaccharidealpha-amino acid or derivativespyran carboxylic acid1-o-glucuronidebeta-hydroxy acidacetalalpha-amino acidorganonitrogen compoundoxaneorganoheterocyclic compoundalcoholazacycletertiary aliphatic aminepyrrolidine carboxylic acid or derivativesdicarboxylic acid or derivativesphenolhydrocarbon derivativephenoxy compoundaminecarbonyl grouparomatic heteromonocyclic compoundamino acid1-hydroxy-2-unsubstituted benzenoidphenethylaminecarboxylic acid derivativeorganic oxidepyrrolidine carboxylic acidorganopnictogen compoundpyrrolidinetertiary amineproline or derivativespyran carboxylic acid or derivativesn-alkylpyrrolidinehydroxy acid1-hydroxy-4-unsubstituted benzenoidoxacyclepyransecondary alcoholbenzenoidorganic nitrogen compound |
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