Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:17:26 UTC |
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Update Date | 2025-03-21 18:35:07 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00104043 |
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Frequency | 26.1 |
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Structure | |
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Chemical Formula | C32H49NO11 |
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Molecular Mass | 623.3306 |
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SMILES | CC(CCC(=O)NCC(=O)O)C1CCC2C3CC=C4CC(OC5OC(C(=O)O)C(O)C(O)C5O)CCC4(C)C3CC(O)C12C |
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InChI Key | YHEQKUPXEPUVCC-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 | 12-hydroxysteroidsacetalsacyl glycinesalpha amino acidsbeta hydroxy acids and derivativesbile acids, alcohols and derivativescarbonyl compoundscarboxylic acidscyclic alcohols and derivativesdelta-5-steroidsdicarboxylic acids and derivativesglucuronic acid derivativeshydrocarbon derivativesmonosaccharidesn-acyl amineso-glucuronidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholssecondary carboxylic acid amides |
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Substituents | fatty acylcarbonyl group12-hydroxysteroidcarboxylic acidglucuronic acid or derivativesfatty amideo-glucuronidemonosaccharidealpha-amino acid or derivativescarboxylic acid derivativebile acid, alcohol, or derivativespyran carboxylic acid1-o-glucuronidealiphatic heteropolycyclic compoundbeta-hydroxy acidsaccharideorganic oxideacetalorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxaneorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesdelta-5-steroidalcoholpyran carboxylic acid or derivativesn-acyl-alpha-amino acidhydroxysteroidhydroxy acidcyclic alcoholcarboxamide groupn-acyl-aminen-acylglycineoxacyclesecondary carboxylic acid amideorganic oxygen compoundpyransecondary alcoholdicarboxylic acid or derivativessteroid-glucuronide-skeletonhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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