| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:17:16 UTC |
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| Update Date | 2025-03-21 18:35:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00103645 |
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| Frequency | 26.2 |
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| Structure | |
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| Chemical Formula | C6H10O2 |
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| Molecular Mass | 114.0681 |
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| SMILES | CCC=C(O)CC=O |
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| InChI Key | VBOLLTRCBRVWAN-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 | medium-chain aldehydes |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha-hydrogen aldehydeshydrocarbon derivativesorganic oxides |
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| Substituents | aliphatic acyclic compoundorganic oxidealpha-hydrogen aldehydehydrocarbon derivativemedium-chain aldehyde |
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