| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:55:13 UTC |
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| Update Date | 2025-03-25 00:51:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02190402 |
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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 | CC(=O)C1CCC2C3(C)CCC(OC4OC(C(=O)O)C(O)C(O)C4O)CC3CCC12C |
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| InChI Key | LCNVIBPBUGQQPE-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 | aliphatic heteropolycyclic compounds |
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| Alternative Parents | acetalsbeta hydroxy acids and derivativescarboxylic acidsglucuronic acid derivativeshydrocarbon derivativesketonesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidssecondary alcohols |
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| Substituents | carbonyl groupcarboxylic acido-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acidketone1-o-glucuronidealiphatic heteropolycyclic compoundbeta-hydroxy acidorganic oxideacetaloxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acidoxacyclemonocarboxylic acid or derivativespyransecondary alcoholhydrocarbon derivative |
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