| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:23:23 UTC |
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| Update Date | 2025-03-25 01:02:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02254759 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H28O6 |
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| Molecular Mass | 340.1886 |
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| SMILES | CC12CC(O)C3C(CCC4CC(O)C(O)C43)C1CCC2(O)C(=O)O |
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| InChI Key | GVIXFHXWXKVHQG-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | hydroxy acids and derivatives |
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| Subclass | alpha hydroxy acids and derivatives |
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| Direct Parent | alpha hydroxy acids and derivatives |
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| Geometric Descriptor | aliphatic homopolycyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidscyclic alcohols and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcoholstertiary alcohols |
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| Substituents | alcoholcarbonyl groupcarboxylic acidalpha-hydroxy acidcyclic alcoholcarboxylic acid derivativealiphatic homopolycyclic compoundtertiary alcoholorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganooxygen compound |
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