| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:10 UTC |
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| Update Date | 2025-03-25 00:50:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183433 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H17NO7 |
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| Molecular Mass | 335.1005 |
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| SMILES | O=C(O)Cc1c(C2OC(C(=O)O)CC(O)C2O)[nH]c2ccccc12 |
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| InChI Key | FOCJNSANDGDEMS-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 | c-glucuronides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,2-diolsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdialkyl ethersdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesindolesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidspyrrolessecondary alcohols |
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| Substituents | carbonyl groupethercarboxylic acidindolemonosaccharidecarboxylic acid derivativepyran carboxylic aciddialkyl etherorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compound1,2-diolc-glucuronidealcoholpyran carboxylic acid or derivativesazacycleheteroaromatic compoundindole or derivativesoxacyclepyranpyrrolesecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compound |
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