| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 16:18:19 UTC |
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| Update Date | 2025-03-25 01:22:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02381397 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H10O3 |
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| Molecular Mass | 142.063 |
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| SMILES | CC(=C=O)CC(O)CC=O |
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| InChI Key | NUUWJQHKQINGPF-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 aldehydesbeta-hydroxy aldehydeshydrocarbon derivativesketenesorganic oxidessecondary alcoholsynolates |
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| Substituents | alcoholaliphatic acyclic compoundbeta-hydroxy aldehydemedium-chain aldehydeorganic oxideynolatealpha-hydrogen aldehydesecondary alcoholhydrocarbon derivativeketene |
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