| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:34 UTC |
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| Update Date | 2025-03-25 00:48:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02168323 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C33H53NO12 |
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| Molecular Mass | 655.3568 |
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| SMILES | CC(CCC(=O)NCC(=O)O)C1CCC2C3C(O)CC4CC(OCC5OC(C(=O)O)C(O)C(O)C5O)CCC4(C)C3CC(O)C12C |
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| InChI Key | ZPEWLTHBCCELLH-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-hydroxysteroids7-hydroxysteroidsacyl glycinesalpha amino acidsbeta hydroxy acids and derivativesbile acids, alcohols and derivativescarbonyl compoundscarboxylic acidscyclic alcohols and derivativesdialkyl ethersdicarboxylic acids and derivativesglucuronic acid derivativeshydrocarbon derivativesmonosaccharidesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | fatty acylcarbonyl groupether12-hydroxysteroidcarboxylic acidglucuronic acid or derivativesfatty amidemonosaccharidealpha-amino acid or derivativescarboxylic acid derivativebile acid, alcohol, or derivativespyran carboxylic aciddialkyl etheraliphatic heteropolycyclic compoundbeta-hydroxy acidsaccharideorganic oxideorganonitrogen 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 compoundpyransecondary alcoholdicarboxylic acid or derivativessteroid-glucuronide-skeletonhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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