| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:08 UTC |
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| Update Date | 2025-03-21 18:38:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00120286 |
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| Frequency | 21.6 |
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| Structure | |
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| Chemical Formula | C17H18O10 |
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| Molecular Mass | 382.09 |
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| SMILES | COc1cc2c(O)cc(O)cc2cc1OC1OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | CWKQBBDRHZZLSV-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 | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsalkyl aryl ethersanisolesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesnaphthols and derivativesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidssecondary alcohols |
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| Substituents | phenol ethercarbonyl groupethercarboxylic acido-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundoxane2-naphtholorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidoxacyclemonocarboxylic acid or derivativesnaphthalenepyrananisolesecondary alcoholhydrocarbon derivative1-naphtholbenzenoid |
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