| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:45 UTC |
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| Update Date | 2025-03-25 00:48:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02171013 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H36O4 |
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| Molecular Mass | 352.2614 |
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| SMILES | COC(=O)C1C(O)CC2C(CCC3C(C)(C)C(O)CCC23C)C1(C)C |
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| InChI Key | KJEKSLRYFCFIHJ-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 | oxosteroids |
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| Direct Parent | oxosteroids |
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| Geometric Descriptor | aliphatic homopolycyclic compounds |
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| Alternative Parents | 17-oxosteroidsbeta hydroxy acids and derivativescarbonyl compoundscyclic alcohols and derivativeshydrocarbon derivativesisocopalane and spongiane diterpenoidsmethyl estersmonocarboxylic acids and derivativesorganic oxidessecondary alcohols |
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| Substituents | alcoholcarbonyl groupisocopalane diterpenoidoxosteroidabietane diterpenoidhydroxy acidcyclic alcoholcarboxylic acid derivativealiphatic homopolycyclic compoundbeta-hydroxy acidorganic oxidemonocarboxylic acid or derivativesmethyl esterorganic oxygen compoundcarboxylic acid estersecondary alcohol17-oxosteroidhydrocarbon derivativediterpenoidorganooxygen compound |
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