| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:49 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 | DMID02189528 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C27H44O4 |
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| Molecular Mass | 432.324 |
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| SMILES | CC(CCC(=O)O)C1(O)CCC2C3=CCC4C(C)(C)C(O)CCC4(C)C3(C)CCC21C |
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| InChI Key | INDTYLMTPQKWCX-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 | 17-hydroxysteroids3-hydroxy delta-7-steroidscarbonyl compoundscarboxylic acidscyclic alcohols and derivativesdelta-7-steroidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcoholstertiary alcohols |
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| Substituents | 3-hydroxy-delta-7-steroidalcoholcarbonyl groupcarboxylic acid3-hydroxysteroiddelta-7-steroidhydroxysteroidcyclic alcoholcarboxylic acid derivativebile acid, alcohol, or derivativesaliphatic homopolycyclic compoundtertiary alcoholorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganooxygen compound17-hydroxysteroid |
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