| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:13:59 UTC |
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| Update Date | 2025-03-25 00:58:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02233228 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H12O2 |
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| Molecular Mass | 176.0837 |
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| SMILES | CC1=CC(=O)C2=C(CCCC2)C1=O |
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| InChI Key | MQFXMYKTKKEIMK-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 | ketones |
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| Geometric Descriptor | aliphatic homopolycyclic compounds |
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| Alternative Parents | hydrocarbon derivativesorganic oxides |
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| Substituents | ketoneorganic oxidehydrocarbon derivativealiphatic homopolycyclic compound |
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