| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:01:50 UTC |
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| Update Date | 2025-03-21 18:07:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00066542 |
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| Frequency | 45.9 |
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| Structure | |
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| Chemical Formula | C11H12O3 |
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| Molecular Mass | 192.0786 |
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| SMILES | CCC=CCc1c(C)c(=O)c(=O)c1=O |
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| InChI Key | VCQYYKUBVQRMEH-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 | cyclic ketones |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | hydrocarbon derivativesorganic oxidesorganooxygen compounds |
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| Substituents | aromatic homomonocyclic compoundorganic oxidehydrocarbon derivativecyclic ketone |
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