| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:35 UTC |
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| Update Date | 2025-03-25 00:54:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02209497 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C33H51NO13 |
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| Molecular Mass | 669.336 |
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| SMILES | CC12CCC(OC3OC(C(=O)O)C(O)C(O)C3O)CC1CCC1C2CC(O)C2(C)C(C(CCC(=O)NCC(=O)O)CC(=O)O)CCC12 |
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| InChI Key | WKFCNDMOAUQGKB-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 derivativesglucuronic acid derivativeshydrocarbon derivativesmonosaccharidesn-acyl amineso-glucuronidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholssecondary carboxylic acid amidestricarboxylic acids and derivatives |
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| Substituents | fatty acylcarbonyl group12-hydroxysteroidcarboxylic acidglucuronic acid or derivativesfatty amideo-glucuronidemonosaccharidetricarboxylic acid or derivativesalpha-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 derivativesalcoholpyran carboxylic acid or derivativesn-acyl-alpha-amino acidhydroxysteroidhydroxy acidcyclic alcoholcarboxamide groupn-acyl-aminen-acylglycineoxacyclesecondary carboxylic acid amideorganic oxygen compoundpyransecondary alcoholsteroid-glucuronide-skeletonhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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