| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:21 UTC |
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| Update Date | 2025-03-25 00:57:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02225212 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H32O3 |
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| Molecular Mass | 344.2351 |
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| SMILES | CC(C(=O)O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C |
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| InChI Key | QETBTXOVEBTJQH-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 | 3-oxo delta-4-steroidscarboxylic acidscyclohexenonesdelta-4-steroidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | cyclohexenonecarbonyl groupcarboxylic acidoxosteroiddelta-4-steroid3-oxo-delta-4-steroidcyclic ketonecarboxylic acid derivativebile acid, alcohol, or derivativesaliphatic homopolycyclic compoundketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compound3-oxosteroidhydrocarbon derivativeorganooxygen compound |
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