| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 02:53:10 UTC |
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| Update Date | 2025-03-21 22:00:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00469073 |
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| Frequency | 3.7 |
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| Structure | |
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| Chemical Formula | C5H10O2 |
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| Molecular Mass | 102.0681 |
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| SMILES | COC(C)CC=O |
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| InChI Key | VVXNMKJDQVBOLT-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | alpha-hydrogen aldehydes |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | dialkyl ethershydrocarbon derivativesorganic oxidesshort-chain aldehydes |
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| Substituents | aliphatic acyclic compoundorganic oxideshort-chain aldehydeetheralpha-hydrogen aldehydehydrocarbon derivativedialkyl ether |
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