| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:54:16 UTC |
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| Update Date | 2025-03-21 18:04:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00048755 |
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| Frequency | 67.9 |
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| Structure | |
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| Chemical Formula | C42H70O4 |
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| Molecular Mass | 638.5274 |
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| SMILES | CCCCCCC=CCCCCCCCCCC(=O)OC1CCC2(C)C(=CCC3C2CCC2(C)C(C(C)CCC(=O)O)CCC32)C1 |
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| InChI Key | XCWWGPHWSAGHBY-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 | carbonyl compoundscarboxylic acid esterscarboxylic acidsdelta-5-steroidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesshort-chain hydroxy acids and derivativessteroid esters |
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| Substituents | delta-5-steroidcarbonyl groupcarboxylic acidshort-chain hydroxy acidcarboxylic acid derivativebile acid, alcohol, or derivativessteroid esteraliphatic homopolycyclic compoundorganic oxideorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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