| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:34:16 UTC |
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| Update Date | 2025-03-21 17:56:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00002091 |
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| Frequency | 2927.2 |
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| Structure | |
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| Chemical Formula | C16H16O7 |
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| Molecular Mass | 320.0896 |
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| SMILES | O=C(O)C1OC(Oc2cccc3ccccc23)C(O)C(O)C1O |
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| InChI Key | KEQWBZWOGRCILF-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 | acetalsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesnaphthalenesorganic oxidesoxacyclic compoundsoxanesphenol etherspyran carboxylic acidssecondary alcohols |
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| Substituents | phenol ethercarbonyl groupcarboxylic acido-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acidoxacyclemonocarboxylic acid or derivativesnaphthalenepyransecondary alcoholhydrocarbon derivativebenzenoid |
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