| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:23:49 UTC |
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| Update Date | 2025-03-25 01:02:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02255737 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H8O3 |
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| Molecular Mass | 140.0473 |
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| SMILES | CC(=O)C1OC(C)=CC1=O |
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| InChI Key | XDQZDUFBXVOITK-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-diketones |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | cyclic ketonesfuranoneshydrocarbon derivativesorganic oxidesoxacyclic compoundsvinylogous esters |
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| Substituents | vinylogous estercyclic ketoneketoneoxacycleorganic oxidealiphatic heteromonocyclic compoundhydrocarbon derivative3-furanoneorganoheterocyclic compound1,3-diketonedihydrofuran |
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