| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:32 UTC |
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| Update Date | 2025-03-25 00:47:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02163644 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C29H44O12 |
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| Molecular Mass | 584.2833 |
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| SMILES | CC12CC(O)C3C(CCC4CC(OC5OC(C(=O)O)C(O)C(O)C5O)CCC43C)C1CCC2OC(=O)CCC(=O)O |
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| InChI Key | CAXUHYSEDVQNNR-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | steroids and steroid derivatives |
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| Subclass | steroidal glycosides |
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| Direct Parent | steroid glucuronide conjugates |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | 11-hydroxysteroidsacetalsandrostane steroidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidscyclic alcohols and derivativesglucuronic acid derivativeshydrocarbon derivativesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholssteroid esterstricarboxylic acids and derivatives |
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| Substituents | carbonyl groupcarboxylic acidglucuronic acid or derivativeso-glucuronidemonosaccharidetricarboxylic acid or derivativescarboxylic acid derivativepyran carboxylic acid1-o-glucuronidealiphatic heteropolycyclic compoundbeta-hydroxy acidsaccharideorganic oxideacetaloxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxysteroidhydroxy acidcyclic alcoholsteroid esteroxacycleorganic oxygen compoundandrostane-skeletonpyrancarboxylic acid estersecondary alcoholsteroid-glucuronide-skeletonhydrocarbon derivative11-hydroxysteroidorganooxygen compound |
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