| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:04 UTC |
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| Update Date | 2025-03-25 00:54:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02208288 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C32H53NO11 |
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| Molecular Mass | 627.3619 |
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| SMILES | CC(CCC(=O)NCCO)C1CCC2C3C(O)CC4CC(OC5OC(C(=O)O)C(O)C(O)C5O)CCC4(C)C3C(O)CC12C |
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| InChI Key | RJELWLCLBWXXJC-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-hydroxysteroidsacetalsalkanolaminesbeta hydroxy acids and derivativesbile acids, alcohols and derivativescarbonyl compoundscarboxylic acidscyclic alcohols and derivativesglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesn-acyl aminesn-acylethanolamineso-glucuronidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidglucuronic acid or derivativesfatty amideo-glucuronidemonosaccharidecarboxylic acid derivativebile acid, alcohol, or derivativespyran carboxylic acid1-o-glucuronidealiphatic heteropolycyclic compoundbeta-hydroxy acidsaccharideorganic oxideacetalorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compoundalkanolaminealcoholpyran carboxylic acid or derivativeshydroxysteroidhydroxy acidcyclic alcoholcarboxamide groupn-acylethanolamine7-hydroxysteroidn-acyl-amineoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundpyransecondary alcoholsteroid-glucuronide-skeletonhydrocarbon derivative11-hydroxysteroidorganic nitrogen compoundorganooxygen compound |
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