| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:47 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 | DMID02189447 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C29H50O4 |
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| Molecular Mass | 462.3709 |
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| SMILES | CC(CCCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C)CCC(=O)O |
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| InChI Key | MXRUIMIVGLKVJB-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 | cholestane steroids |
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| Direct Parent | cholesterols and derivatives |
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| Geometric Descriptor | aliphatic homopolycyclic compounds |
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| Alternative Parents | 12-hydroxysteroids3-hydroxysteroidscarbocyclic fatty acidscarbonyl compoundscarboxylic acidscyclic alcohols and derivativesditerpenoidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmethyl-branched fatty acidsmonocarboxylic acids and derivativesorganic oxidessecondary alcohols |
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| Substituents | fatty acylcarbocyclic fatty acidcarbonyl group12-hydroxysteroidcarboxylic acidabietane diterpenoidcholesterol-skeletonfatty acidcarboxylic acid derivativemedium-chain hydroxy acidaliphatic homopolycyclic compoundorganic oxidemedium-chain fatty acidhydroxy fatty acidalcoholmethyl-branched fatty acid3-hydroxysteroidhydroxysteroidcyclic alcoholbranched fatty acidcholesterolmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativediterpenoidorganooxygen compound |
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