| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:27 UTC |
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| Update Date | 2025-03-25 00:54:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02209187 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H36O7 |
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| Molecular Mass | 412.2461 |
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| SMILES | CC12CC(C(=O)O)C(O)CC1CCC1C2C(O)CC2(C)C1CCC2(O)C(O)CO |
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| InChI Key | AVPDHSNJQSCRDK-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 | pregnane steroids |
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| Direct Parent | gluco/mineralocorticoids, progestogins and derivatives |
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| Geometric Descriptor | aliphatic homopolycyclic compounds |
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| Alternative Parents | 11-hydroxysteroids17-hydroxysteroids21-hydroxysteroids3-hydroxysteroidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidscyclic alcohols and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesprimary alcoholssecondary alcoholstertiary alcohols |
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| Substituents | 20-hydroxysteroidcarbonyl groupcarboxylic acidcarboxylic acid derivativealiphatic homopolycyclic compoundbeta-hydroxy acidorganic oxide21-hydroxysteroidprimary alcoholprogestogin-skeleton17-hydroxysteroidalcohol3-hydroxysteroidhydroxysteroidhydroxy acidcyclic alcoholtertiary alcoholmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivative11-hydroxysteroidorganooxygen compound |
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