| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:34 UTC |
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| Update Date | 2025-03-21 18:39:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00123636 |
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| Frequency | 20.8 |
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| Structure | |
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| Chemical Formula | C15H17NO9 |
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| Molecular Mass | 355.0903 |
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| SMILES | O=C(O)C1Cc2ccc(OC3OC(C(=O)O)C(O)C(O)C3O)cc2N1 |
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| InChI Key | YPSPYECHJDMKSR-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 heteropolycyclic compounds |
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| Alternative Parents | acetalsalpha amino acidsamino acidsazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesglucuronic acid derivativeshydrocarbon derivativesindolecarboxylic acidsindolesindolinesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesphenol etherspyran carboxylic acidssecondary alcoholssecondary alkylarylamines |
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| Substituents | phenol ethercarbonyl groupcarboxylic acidamino acid or derivativesamino acidindoleo-glucuronidemonosaccharidealpha-amino acid or derivativescarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxanedihydroindoleorganoheterocyclic compoundindolecarboxylic acid derivativealcoholpyran carboxylic acid or derivativesazacycleindole or derivativeshydroxy acidsecondary aminesecondary aliphatic/aromatic amineoxacyclepyranindolecarboxylic acidsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundamine |
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