| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:33 UTC |
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| Update Date | 2025-03-21 18:38:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00118971 |
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| Frequency | 21.9 |
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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 | CCC(=O)C(=O)CCc1ccccc1 |
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| InChI Key | MVRMGIVMEQWKSK-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 | alpha-diketoneshydrocarbon derivativesorganic oxides |
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| Substituents | ketonearomatic homomonocyclic compoundmonocyclic benzene moietycarbonyl grouporganic oxideorganic oxygen compoundhydrocarbon derivativealpha-diketoneorganooxygen compound |
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