| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 06:11:27 UTC |
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| Update Date | 2025-03-24 16:42:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00941810 |
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| Frequency | 1.5 |
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| Structure | |
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| Chemical Formula | C6H6O3 |
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| Molecular Mass | 126.0317 |
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| SMILES | CC=CC(=O)C(=O)C=O |
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| InChI Key | NPQXMSJGAFOGJN-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 ketoaldehydesalpha-diketonesbeta ketoaldehydesenoneshydrocarbon derivativesorganic oxides |
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| Substituents | aliphatic acyclic compoundbeta-ketoaldehydealpha,beta-unsaturated ketonemedium-chain aldehydealpha-diketoneketoneorganic oxidehydrocarbon derivativeacryloyl-groupalpha-ketoaldehydeenone |
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