| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 06:08:24 UTC |
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| Update Date | 2025-03-24 16:41:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00934603 |
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| Frequency | 1.5 |
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| Structure | |
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| Chemical Formula | C7H12O2 |
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| Molecular Mass | 128.0837 |
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| SMILES | CC(C)C=CC(O)C=O |
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| InChI Key | ANFUTKVRTLWTSJ-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-hydroxyaldehydeshydrocarbon derivativesorganic oxidessecondary alcohols |
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| Substituents | alcoholaliphatic acyclic compoundorganic oxidealpha-hydroxyaldehydesecondary alcoholhydrocarbon derivativemedium-chain aldehyde |
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