| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:19:16 UTC |
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| Update Date | 2025-03-25 01:00:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02245418 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H40O6 |
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| Molecular Mass | 400.2825 |
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| SMILES | CCCCCCCCCCCCCCCC(=O)OC(=O)CCC(O)CC(=O)O |
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| InChI Key | CALDKDUWLPVHBW-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 | carboxylic acids and derivatives |
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| Subclass | tricarboxylic acids and derivatives |
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| Direct Parent | tricarboxylic acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | beta hydroxy acids and derivativescarbonyl compoundscarboxylic acid anhydridescarboxylic acidshydrocarbon derivativesorganic oxidessecondary alcohols |
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| Substituents | alcoholaliphatic acyclic compoundcarbonyl groupcarboxylic acidtricarboxylic acid or derivativeshydroxy acidbeta-hydroxy acidorganic oxideorganic oxygen compoundcarboxylic acid anhydridesecondary alcoholhydrocarbon derivativeorganooxygen compound |
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