| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:12:10 UTC |
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| Update Date | 2025-03-25 00:36:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02090923 |
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| Frequency | 0.6 |
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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 | CCC(O)CC(=O)C=C=O |
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| InChI Key | BLTZEYSQOQWSBN-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-hydroxy ketones |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acryloyl compoundsenoneshydrocarbon derivativesketenesorganic oxidessecondary alcoholsynolates |
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| Substituents | alcoholbeta-hydroxy ketonealiphatic acyclic compoundorganic oxideynolatesecondary alcoholhydrocarbon derivativeacryloyl-groupketeneenone |
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