Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:13:55 UTC |
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Update Date | 2025-03-21 18:33:21 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00095416 |
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Frequency | 29.1 |
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Structure | |
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Chemical Formula | C25H36O4 |
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Molecular Mass | 400.2614 |
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SMILES | CCC(C)(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC3C=CCC(=O)O3)C21 |
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InChI Key | IRRITNIYWGHZAJ-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 | pyrans |
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Subclass | pyranones and derivatives |
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Direct Parent | dihydropyranones |
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Geometric Descriptor | aliphatic heteropolycyclic compounds |
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Alternative Parents | carbonyl compoundscarboxylic acid estersdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativeslactonesorganic oxidesoxacyclic compounds |
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Substituents | fatty acylcarbonyl groupdihydropyranonecarboxylic acid derivativelactonealiphatic heteropolycyclic compoundoxacyclefatty acid esterorganic oxideorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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