| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:57:38 UTC |
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| Update Date | 2025-03-25 00:52:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02195807 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C23H36O8 |
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| Molecular Mass | 440.241 |
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| SMILES | CC12CC3C(CC4CC(OC5OC(C(=O)O)C(O)C(O)C5O)CCC43C)C1CCC2O |
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| InChI Key | COWFJXNPEDFBBV-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 | monosaccharides |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | acetalsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidscyclic alcohols and derivativesglucuronic acid derivativeshydrocarbon derivativeslinear triquinanesmonocarboxylic acids and derivativeso-glucuronidesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholssesquiterpenoids |
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| Substituents | carbonyl groupcarboxylic acidglucuronic acid or derivativeso-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidealiphatic heteropolycyclic compoundbeta-hydroxy acidorganic oxidesesquiterpenoidacetallinear triquinane sesquiterpenoidoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acidcyclic alcoholoxacyclemonocarboxylic acid or derivativespyransecondary alcoholhydrocarbon derivative |
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