| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:57:22 UTC |
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| Update Date | 2025-03-25 00:52:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02195175 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C28H44O10 |
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| Molecular Mass | 540.2934 |
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| SMILES | CC1CC2C(CCC3CC(OC4OC(C(=O)O)C(O)C(O)C4O)CCC32C)C1CCC1CC(O)CC(=O)O1 |
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| InChI Key | DEPJFJHAKSDNHQ-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 acid esterscarboxylic acidsdelta valerolactonesdicarboxylic acids and derivativesglucuronic acid derivativeshydrocarbon derivativesiridoids and derivativeso-glucuronidesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholsterpene lactones |
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| Substituents | monoterpenoidcarbonyl groupcarboxylic acidglucuronic acid or derivativesdelta valerolactoneo-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acidlactone1-o-glucuronidealiphatic heteropolycyclic compoundterpene lactonebeta-hydroxy acidorganic oxideacetaloxanedelta_valerolactoneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acidoxacyclepyrancarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivative11-noriridane monoterpenoid |
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