| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:48:50 UTC |
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| Update Date | 2025-03-21 18:01:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00035730 |
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| Frequency | 99.5 |
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| Structure | |
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| Chemical Formula | C14H15NO8 |
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| Molecular Mass | 325.0798 |
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| SMILES | O=C(O)C1OC(O)C(Oc2cc3[nH]ccc3cc2O)C(O)C1O |
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| InChI Key | IVLHWJRTERQNJR-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 benzenoidsalkyl aryl ethersazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshemiacetalsheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenol etherspyran carboxylic acidspyrrolessecondary alcohols |
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| Substituents | phenol ethercarbonyl groupethercarboxylic acidglucuronic acid or derivativesindole1-hydroxy-2-unsubstituted benzenoidmonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acidbeta-hydroxy acidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhemiacetaloxaneorganoheterocyclic compound1,2-diolalcoholpyran carboxylic acid or derivativesazacycleheteroaromatic compoundindole or derivativeshydroxy acidoxacyclemonocarboxylic acid or derivativespyranpyrrolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compound |
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