| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:09 UTC |
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| Update Date | 2025-03-25 00:53:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201620 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H28O9 |
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| Molecular Mass | 412.1733 |
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| SMILES | Cc1c(C)c2c(c(C)c1O)CC(OC1OC(C(=O)O)C(O)C(O)C1O)C(C)(C)O2 |
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| InChI Key | CLBNZNBNOAFFMY-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 | 2,2-dimethyl-1-benzopyransacetalsalkyl aryl ethersbenzenoidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidssecondary alcohols |
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| Substituents | carbonyl groupethercarboxylic acid1-benzopyran2,2-dimethyl-1-benzopyrano-glucuronidemonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundchromaneoxaneorganoheterocyclic compoundalcoholbenzopyranpyran carboxylic acid or derivativeshydroxy acidoxacyclemonocarboxylic acid or derivativespyransecondary alcoholhydrocarbon derivativebenzenoid |
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