Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 04:39:42 UTC |
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Update Date | 2025-03-24 14:00:18 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00721949 |
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Frequency | 2.1 |
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Structure | |
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Chemical Formula | C7H12O2 |
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Molecular Mass | 128.0837 |
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SMILES | CC(C)CC1CC(=O)O1 |
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InChI Key | KKIPRRFVUAJGBU-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 | beta propiolactones |
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Direct Parent | beta propiolactones |
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Geometric Descriptor | aliphatic heteromonocyclic compounds |
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Alternative Parents | carbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxetanes |
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Substituents | carbonyl groupcarboxylic acid derivativebeta_propiolactoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteroxetanealiphatic heteromonocyclic compoundhydrocarbon derivativeorganooxygen compound |
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