| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:38 UTC |
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| Update Date | 2025-03-25 00:56:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02221333 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H16O8 |
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| Molecular Mass | 336.0845 |
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| SMILES | O=C(O)C1OC(O)C(O)C(O)C1Oc1ccc2ccccc2c1O |
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| InChI Key | YJRUYBKNLFXXLK-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-4-unsubstituted benzenoidsalkyl aryl etherscarbonyl compoundscarboxylic acidshemiacetalshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesnaphthols and derivativesorganic oxidesoxacyclic compoundsoxanesphenol etherspyran carboxylic acidssecondary alcohols |
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| Substituents | phenol ethercarbonyl groupethercarboxylic acidglucuronic acid or derivativesmonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acidorganic oxidearomatic heteropolycyclic compoundhemiacetaloxaneorganoheterocyclic compound1,2-diolalcoholpyran carboxylic acid or derivatives1-hydroxy-4-unsubstituted benzenoidoxacyclemonocarboxylic acid or derivativesnaphthalenepyransecondary alcoholhydrocarbon derivative1-naphtholbenzenoid |
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