| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:23:08 UTC |
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| Update Date | 2025-03-25 01:02:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02254201 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C25H39NO5 |
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| Molecular Mass | 433.2828 |
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| SMILES | CC(CCC(=O)NCC(=O)O)C1CCC2C3CCC4OC(=O)CCC4(C)C3CCC12C |
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| InChI Key | VCOICRODTCLKPK-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 | steroid lactones |
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| Direct Parent | steroid lactones |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | 3-oxosteroidsacyl glycinesalpha amino acidscarbonyl compoundscarboxylic acid esterscarboxylic acidsdelta valerolactonesdicarboxylic acids and derivativeshydrocarbon derivativesn-acyl aminesnaphthalenesnaphthopyransorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesoxasteroids and derivativespyranssecondary carboxylic acid amides |
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| Substituents | fatty acylcarbonyl groupcarboxylic aciddelta valerolactonefatty amidealpha-amino acid or derivativescarboxylic acid derivativesteroid lactonelactonealiphatic heteropolycyclic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxanedelta_valerolactoneorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesoxosteroidn-acyl-alpha-amino acidcarboxamide groupn-acyl-aminen-acylglycineoxacyclesecondary carboxylic acid amidenaphthopyrannaphthaleneorganic oxygen compoundpyrancarboxylic acid ester4-oxasteroiddicarboxylic acid or derivatives3-oxosteroidhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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