| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:49:56 UTC |
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| Update Date | 2025-03-21 18:02:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00038403 |
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| Frequency | 91.2 |
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| Structure | |
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| Chemical Formula | C27H42O11 |
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| Molecular Mass | 542.2727 |
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| SMILES | CC12CCC(OC3OC(C(=O)O)C(O)C(O)C3O)CC1=CCC1C2C(O)CC2(C)C1CCC2(O)C(O)CO |
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| InChI Key | BEXOBTANZLHEDY-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-hydroxysteroids17-hydroxysteroids21-hydroxysteroidsacetalsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidscyclic alcohols and derivativesdelta-5-steroidsglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanespregnane steroidsprimary alcoholspyran carboxylic acidssecondary alcoholstertiary alcohols |
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| Substituents | 20-hydroxysteroidcarbonyl groupcarboxylic acidglucuronic acid or derivativeso-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidealiphatic heteropolycyclic compoundbeta-hydroxy acidsaccharideorganic oxideacetal21-hydroxysteroidoxaneprimary alcoholorganoheterocyclic compound17-hydroxysteroiddelta-5-steroidalcoholpyran carboxylic acid or derivativeshydroxysteroidhydroxy acidcyclic alcoholoxacycletertiary alcoholmonocarboxylic acid or derivativesorganic oxygen compoundpyransecondary alcoholsteroid-glucuronide-skeletonhydrocarbon derivative11-hydroxysteroidpregnane-skeletonorganooxygen compound |
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