| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:48:06 UTC |
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| Update Date | 2025-03-21 18:01:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00033960 |
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| Frequency | 106.3 |
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| Structure | |
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| Chemical Formula | C7H14O2 |
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| Molecular Mass | 130.0994 |
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| SMILES | CCCC(O)CCC=O |
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| InChI Key | BIXSHYPXFVSGBY-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 oxidessecondary alcohols |
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| Substituents | alcoholaliphatic acyclic compoundorganic oxidealpha-hydrogen aldehydesecondary alcoholhydrocarbon derivativemedium-chain aldehyde |
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