| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:09:03 UTC |
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| Update Date | 2025-03-21 18:31:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00083895 |
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| Frequency | 34.2 |
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| Structure | |
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| Chemical Formula | C26H40O10 |
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| Molecular Mass | 512.2621 |
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| SMILES | CC12CCC(OC3OC(C(=O)O)C(O)C(O)C3O)CC1CCC1C2CCC2(C)C1CCC2(O)C(=O)O |
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| InChI Key | RMJZMNUCHGLARK-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 | 17-hydroxysteroidsacetalsalpha hydroxy acids and derivativesandrostane steroidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidscyclic alcohols and derivativesdicarboxylic acids and derivativesglucuronic acid derivativeshydrocarbon derivativesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholstertiary alcohols |
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| Substituents | 20-hydroxysteroidcarbonyl groupcarboxylic acidglucuronic acid or derivativesalpha-hydroxy acido-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidealiphatic heteropolycyclic compoundbeta-hydroxy acidsaccharideorganic oxideacetaloxaneorganoheterocyclic compound17-hydroxysteroidalcoholpyran carboxylic acid or derivativeshydroxysteroidhydroxy acidcyclic alcoholoxacycletertiary alcoholorganic oxygen compoundandrostane-skeletonpyransecondary alcoholdicarboxylic acid or derivativessteroid-glucuronide-skeletonhydrocarbon derivativeorganooxygen compound |
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