| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-20 23:44:45 UTC |
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| Update Date | 2025-03-21 18:00:15 UTC |
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| HMDB ID | HMDB0301801 |
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| Metabolite Identification |
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| DeepMet ID | DMID00026081 |
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| Name | Parasorbic acid |
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| Frequency | 147.1 |
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| Structure | |
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| Chemical Formula | C6H8O2 |
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| Molecular Mass | 112.0524 |
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| SMILES | CC1CC=CC(=O)O1 |
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| InChI Key | DYNKRGCMLGUEMN-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 heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundsenoate estershydrocarbon derivativeslactonesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compounds |
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| Substituents | enoate estercarbonyl groupdihydropyranonecarboxylic acid derivativelactoneoxacyclealpha,beta-unsaturated carboxylic esterorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteraliphatic heteromonocyclic compoundhydrocarbon derivativeorganooxygen compound |
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