| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:11:14 UTC |
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| Update Date | 2025-03-25 00:57:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02227115 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C28H44O4 |
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| Molecular Mass | 444.324 |
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| SMILES | CC(CCCC(=O)C(=O)O)C1CCC2C3=C(CCC21C)C1(C)CCC(O)C(C)(C)C1CC3 |
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| InChI Key | KWASCLLRHPFJEC-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-hydroxysteroidsalpha-hydroxy ketonesalpha-keto acids and derivativescarbocyclic fatty acidscarboxylic acidscyclic alcohols and derivativesditerpenoidsfatty acylshydrocarbon derivativeshydroxy fatty acidsmedium-chain keto acids and derivativesmonocarboxylic acids and derivativesorganic oxidesoxosteroidssecondary alcohols |
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| Substituents | fatty acylcarbocyclic fatty acidcarbonyl groupcarboxylic acidandrogen-skeletonabietane diterpenoidalpha-hydroxy ketonecarboxylic acid derivativealiphatic homopolycyclic compoundketoneorganic oxidealpha-keto acidhydroxy fatty acidalcohol25-oxosteroidoxosteroid3-hydroxysteroidhydroxysteroidcyclic alcoholmonocarboxylic acid or derivativesorganic oxygen compoundketo acidsecondary alcoholhydrocarbon derivativediterpenoidorganooxygen compoundmedium-chain keto acid |
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