| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 16:04:57 UTC |
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| Update Date | 2025-03-25 01:18:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02350824 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H6O2 |
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| Molecular Mass | 110.0368 |
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| SMILES | C=C=C1CCC(=O)O1 |
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| InChI Key | IBVXYQFRVQJDGH-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 | tetrahydrofurans |
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| Subclass | tetrahydrofurans |
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| Direct Parent | tetrahydrofurans |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acid estershydrocarbon derivativeslactonesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compounds |
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| Substituents | carbonyl grouptetrahydrofurancarboxylic acid derivativelactoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteraliphatic heteromonocyclic compoundhydrocarbon derivativeorganooxygen compound |
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