| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:01 UTC |
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| Update Date | 2025-03-21 18:41:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00134093 |
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| Frequency | 18.8 |
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| Structure | |
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| Chemical Formula | C14H14O9 |
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| Molecular Mass | 326.0638 |
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| SMILES | O=C1COc2cc(OC3OC(C(=O)O)C(O)C(O)C3O)ccc21 |
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| InChI Key | XFOQXVNEWOJEDO-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 | o-glucuronides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | acetalsalkyl aryl ethersaryl alkyl ketonesbenzofuranonesbeta hydroxy acids and derivativescarboxylic acidscoumaransglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenol etherspyran carboxylic acidssecondary alcohols |
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| Substituents | phenol ethercarbonyl groupethercarboxylic acidaryl alkyl ketonebenzofuranoneo-glucuronidemonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acidketone1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundoxaneorganoheterocyclic compoundcoumaranalcoholpyran carboxylic acid or derivativesbenzofuranhydroxy acidoxacyclemonocarboxylic acid or derivativespyransecondary alcoholhydrocarbon derivativebenzenoidaryl ketone |
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