| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:08:17 UTC |
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| Update Date | 2025-03-21 18:30:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00082067 |
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| Frequency | 35.2 |
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| Structure | |
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| Chemical Formula | C15H14O9 |
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| Molecular Mass | 338.0638 |
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| SMILES | O=C(O)C1OC(O)C(Oc2ccc3ccc(=O)oc3c2)C(O)C1O |
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| InChI Key | SSDYNZMBWMNJLN-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-benzopyransalkyl aryl ethersbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidscoumarins and derivativeshemiacetalsheteroaromatic compoundshydrocarbon derivativeslactonesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenol etherspyran carboxylic acidspyranones and derivativessecondary alcohols |
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| Substituents | phenol ethercarbonyl groupethercarboxylic acidglucuronic acid or derivatives1-benzopyranmonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acidlactonebeta-hydroxy acidorganic oxidearomatic heteropolycyclic compoundpyranonehemiacetaloxaneorganoheterocyclic compound1,2-diolalcoholbenzopyranpyran carboxylic acid or derivativesheteroaromatic compoundhydroxy acidcoumarinoxacyclemonocarboxylic acid or derivativespyransecondary alcoholhydrocarbon derivativebenzenoid |
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