| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:47 UTC |
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| Update Date | 2025-03-25 00:59:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02237369 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H17NO9 |
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| Molecular Mass | 367.0903 |
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| SMILES | O=C(Cc1c[nH]c2ccc(O)cc12)OC1C(C(=O)O)OC(O)C(O)C1O |
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| InChI Key | TXMSHWIMLBAGDM-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 | glucuronic acid derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,2-diols1-hydroxy-2-unsubstituted benzenoidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativeshemiacetalsheteroaromatic compoundshydrocarbon derivativesindolesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidspyrrolessecondary alcohols |
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| Substituents | carbonyl groupcarboxylic acidglucuronic acid or derivativesindole1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativepyran carboxylic acidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhemiacetaloxaneorganoheterocyclic compound1,2-diolalcoholpyran carboxylic acid or derivativesazacycleheteroaromatic compoundindole or derivativesoxacyclepyrancarboxylic acid esterpyrrolesecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compound |
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