| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:19 UTC |
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| Update Date | 2025-03-21 18:38:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00123096 |
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| Frequency | 21.0 |
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| Structure | |
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| Chemical Formula | C31H49NO13 |
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| Molecular Mass | 643.3204 |
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| SMILES | CC12CC(O)C3C(C(O)CC4CC(OC5OC(C(=O)O)C(O)C(O)C5O)CCC43C)C1CCC2C(O)CCC(=O)NCC(=O)O |
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| InChI Key | BUQWDEZIDYHTMG-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-hydroxysteroids7-hydroxysteroidsacetalsacyl glycinesalpha amino acidsandrostane steroidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidscyclic alcohols and derivativesdicarboxylic acids and derivativesglucuronic acid derivativeshydrocarbon derivativesmonosaccharidesn-acyl amineso-glucuronidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | 20-hydroxysteroidfatty acylcarbonyl groupcarboxylic acidglucuronic acid or derivativesfatty amideo-glucuronidemonosaccharidealpha-amino acid or derivativescarboxylic acid derivativepyran carboxylic acid1-o-glucuronidealiphatic heteropolycyclic compoundbeta-hydroxy acidsaccharideorganic oxideacetalorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxaneorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesalcoholpyran carboxylic acid or derivativesn-acyl-alpha-amino acidhydroxysteroidhydroxy acidcyclic alcoholcarboxamide group7-hydroxysteroidn-acyl-aminen-acylglycineoxacyclesecondary carboxylic acid amideorganic oxygen compoundandrostane-skeletonpyransecondary alcoholdicarboxylic acid or derivativessteroid-glucuronide-skeletonhydrocarbon derivative11-hydroxysteroidorganic nitrogen compoundorganooxygen compound |
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