| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:49:23 UTC |
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| Update Date | 2025-03-21 18:02:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00037109 |
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| Frequency | 95.0 |
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| Structure | |
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| Chemical Formula | C12H14O2 |
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| Molecular Mass | 190.0994 |
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| SMILES | CC(=O)CC(=O)CCc1ccccc1 |
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| InChI Key | XDIAMGPBIBHHPF-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzene and substituted derivatives |
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| Direct Parent | benzene and substituted derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | hydrocarbon derivativesketonesorganic oxides |
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| Substituents | ketonearomatic homomonocyclic compoundmonocyclic benzene moietycarbonyl grouporganic oxideorganic oxygen compoundhydrocarbon derivativeorganooxygen compound |
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