| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:57:57 UTC |
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| Update Date | 2025-03-21 18:54:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00199484 |
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| Frequency | 11.2 |
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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 | CCC(=O)C(C=O)CC |
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| InChI Key | ZXAFRVQPLRWLBV-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 | beta ketoaldehydes |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | 1,3-dicarbonyl compoundshydrocarbon derivativesketonesorganic oxides |
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| Substituents | ketonealiphatic acyclic compoundorganic oxidebeta-ketoaldehydehydrocarbon derivative1,3-dicarbonyl compound |
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