| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:02:21 UTC |
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| Update Date | 2025-03-21 18:07:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00067779 |
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| Frequency | 44.8 |
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| Structure | |
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| Chemical Formula | C18H20N2O10 |
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| Molecular Mass | 424.1118 |
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| SMILES | O=C(NC(Cc1c[nH]c2ccccc12)C(=O)O)OC1OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | XOUIGLCMJXRZPX-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 acidsazacyclic compoundsbenzenoidsbeta hydroxy acids and derivativescarbamate esterscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativesindolesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidspyrrolessecondary alcohols |
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| Substituents | carbonyl groupcarboxylic acidindoleo-glucuronidemonosaccharidealpha-amino acid or derivativescarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxaneorganoheterocyclic compoundalcoholcarbonic acid derivativepyran carboxylic acid or derivativesazacycleheteroaromatic compoundindole or derivativescarbamic acid esterhydroxy acidoxacyclepyranpyrrolesecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compound |
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