| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:06 UTC |
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| Update Date | 2025-03-25 00:50:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183286 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H20N2O9 |
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| Molecular Mass | 420.1169 |
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| SMILES | O=C1CC(Cc2c[nH]c3cc(OC4OC(C(=O)O)C(O)C(O)C4O)ccc23)C(=O)N1 |
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| InChI Key | IWJIIJMGPCMARB-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 | acetalsazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboximidesglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesmonosaccharidesn-unsubstituted carboxylic acid imidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenol etherspyran carboxylic acidspyrrolespyrrolidine-2-onessecondary alcohols |
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| Substituents | 2-pyrrolidonephenol ethercarbonyl groupcarboxylic acidindoleo-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidecarboxylic acid imide, n-unsubstitutedbeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compounddicarboximideoxanepyrrolidinepyrrolidoneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesazacycleheteroaromatic compoundindole or derivativeshydroxy acidcarboxylic acid imideoxacyclemonocarboxylic acid or derivativespyranpyrrolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compound |
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