| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:55 UTC |
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| Update Date | 2025-03-25 00:53:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02203328 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H25NO12 |
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| Molecular Mass | 447.1377 |
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| SMILES | O=C(O)C1OC(Oc2ccccc2NCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O |
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| InChI Key | DLXQYIDGFHYXAK-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 | acetalsamino acidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativeshemiacetalshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesphenol ethersphenoxy compoundsphenylalkylaminespyran carboxylic acidssecondary alcoholssecondary alkylarylamines |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acido-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalorganonitrogen compoundorganopnictogen compoundhemiacetaloxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acidsecondary aminesecondary aliphatic/aromatic amineoxacyclemonocarboxylic acid or derivativespyransecondary alcoholphenylalkylaminehydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundamine |
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