Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 03:05:00 UTC |
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Update Date | 2025-03-21 22:08:42 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00497248 |
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Frequency | 3.4 |
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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 | CC=C1COC(=O)C1 |
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InChI Key | RUKBWRGWBSPQCD-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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