| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 08:38:14 UTC |
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| Update Date | 2025-03-25 00:21:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01295394 |
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| Frequency | 1.0 |
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| Structure | |
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| Chemical Formula | C7H10O2 |
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| Molecular Mass | 126.0681 |
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| SMILES | CCC=CC(=O)CC=O |
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| InChI Key | NOQOHQWYENAZGI-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 | acryloyl compoundsalpha-hydrogen aldehydesbeta ketoaldehydesenoneshydrocarbon derivativesketonesorganic oxides |
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| Substituents | aliphatic acyclic compoundbeta-ketoaldehydealpha,beta-unsaturated ketonemedium-chain aldehydeketoneorganic oxidealpha-hydrogen aldehydehydrocarbon derivativeacryloyl-groupenone |
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