Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 14:48:40 UTC |
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Update Date | 2025-03-25 00:49:36 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID02175411 |
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Frequency | 0.5 |
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Structure | |
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Chemical Formula | C26H50O2 |
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Molecular Mass | 394.3811 |
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SMILES | CCCCCCCCC1C(=O)OC(CCCCCCC)C1CCCCCCC |
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InChI Key | LSWHQXMEXQJKFZ-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Kingdom | organic compounds |
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Superclass | organoheterocyclic compounds |
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Class | lactones |
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Subclass | gamma butyrolactones |
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Direct Parent | gamma butyrolactones |
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Geometric Descriptor | aliphatic heteromonocyclic compounds |
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Alternative Parents | carbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundstetrahydrofurans |
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Substituents | carbonyl grouptetrahydrofurancarboxylic acid derivativegamma butyrolactoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteraliphatic heteromonocyclic compoundhydrocarbon derivativeorganooxygen compound |
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