| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:04:26 UTC |
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| Update Date | 2025-03-21 18:28:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00072794 |
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| Frequency | 41.0 |
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| Structure | |
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| Chemical Formula | C27H44O3 |
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| Molecular Mass | 416.329 |
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| SMILES | CC(CCCC(=O)O)C1CCC2C3=C(CCC21C)C1(C)CCC(O)C(C)(C)C1CC3 |
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| InChI Key | CVQPNLDUKXHWOF-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 | androgens and derivatives |
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| Geometric Descriptor | aliphatic homopolycyclic compounds |
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| Alternative Parents | 3-hydroxysteroidscarbocyclic fatty acidscarbonyl compoundscarboxylic acidscyclic alcohols and derivativesditerpenoidsfatty acylshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcohols |
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| Substituents | fatty acylcarbocyclic fatty acidcarbonyl groupcarboxylic acidandrogen-skeletonabietane diterpenoidcarboxylic acid derivativemedium-chain hydroxy acidaliphatic homopolycyclic compoundorganic oxidemedium-chain fatty acidhydroxy fatty acidalcohol3-hydroxysteroidhydroxysteroidcyclic alcoholmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativediterpenoidorganooxygen compound |
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