| 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 | DMID02208293 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C26H39NO5 |
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| Molecular Mass | 445.2828 |
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| SMILES | CC(CCC(=O)NCC(=O)O)C1CCC2C3C(O)CC4=CC(=O)CCC4(C)C3CCC12C |
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| InChI Key | RJARQVHGCJUKLX-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 | bile acids, alcohols and derivatives |
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| Direct Parent | bile acids, alcohols and derivatives |
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| Geometric Descriptor | aliphatic homopolycyclic compounds |
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| Alternative Parents | 3-oxo delta-4-steroids7-hydroxysteroidsacyl glycinesalpha amino acidscarboxylic acidscyclic alcohols and derivativescyclohexenonesdelta-4-steroidshydrocarbon derivativesmonocarboxylic acids and derivativesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | fatty acylcyclohexenonecarbonyl groupcarboxylic acidfatty amidealpha-amino acid or derivativescyclic ketonecarboxylic acid derivativebile acid, alcohol, or derivativesaliphatic homopolycyclic compoundketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativesalcoholoxosteroiddelta-4-steroidn-acyl-alpha-amino acid3-oxo-delta-4-steroidhydroxysteroidcyclic alcoholcarboxamide group7-hydroxysteroidn-acyl-aminen-acylglycinesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcohol3-oxosteroidhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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