| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:15 UTC |
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| Update Date | 2025-03-25 00:54:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02208692 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H36O6 |
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| Molecular Mass | 396.2512 |
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| SMILES | CC(=O)OC1CC2CCC3C(C(O)CC4(C)C3CCC4(O)C(O)CO)C2(C)C1 |
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| InChI Key | XPQFZTKPEQHDFU-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 | androstane steroids |
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| Direct Parent | androstane steroids |
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| Geometric Descriptor | aliphatic homopolycyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acid esterscyclic alcohols and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesprimary alcoholssecondary alcoholstertiary alcohols |
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| Substituents | alcoholcarbonyl groupcyclic alcoholcarboxylic acid derivativealiphatic homopolycyclic compoundtertiary alcoholorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundandrostane-skeletoncarboxylic acid estersecondary alcoholhydrocarbon derivativeprimary alcoholorganooxygen compound |
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