| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:54:21 UTC |
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| Update Date | 2025-03-21 18:04:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00048987 |
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| Frequency | 67.5 |
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| Structure | |
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| Chemical Formula | C18H30O6 |
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| Molecular Mass | 342.2042 |
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| SMILES | CCCCCCCCCCCC=CC(=O)OC(CC(=O)O)C(=O)O |
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| InChI Key | PTVSEMHHMCRJKU-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 | carbonyl compoundscarboxylic acidsenoate estersfatty acid estershydrocarbon derivativesorganic oxides |
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| Substituents | enoate esterfatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidtricarboxylic acid or derivativesalpha,beta-unsaturated carboxylic esterfatty acid esterorganic oxideorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganooxygen compound |
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