| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:48 UTC |
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| Update Date | 2025-03-25 00:51:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02189461 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C27H46O5 |
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| Molecular Mass | 450.3345 |
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| SMILES | CC(CCC(O)CCC(=O)O)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C |
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| InChI Key | HCWOJEAPRBKDSO-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 | 12-hydroxysteroids3-hydroxysteroidscarbonyl compoundscarboxylic acidscyclic alcohols and derivativeshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcohols |
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| Substituents | fatty acylcarbonyl group12-hydroxysteroidcarboxylic acidfatty acidcarboxylic acid derivativebile acid, alcohol, or derivativesmedium-chain hydroxy acidaliphatic homopolycyclic compoundorganic oxidemedium-chain fatty acidhydroxy fatty acidalcohol3-hydroxysteroidhydroxysteroidcyclic alcoholmonocarboxylic acid or derivativesorganic oxygen compound24-hydroxysteroidsecondary alcoholhydrocarbon derivativeorganooxygen compound |
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