| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:13:12 UTC |
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| Update Date | 2025-03-21 18:32:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00093698 |
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| Frequency | 29.7 |
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| Structure | |
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| Chemical Formula | C13H16O |
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| Molecular Mass | 188.1201 |
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| SMILES | C=CC(=O)Cc1c(C)cccc1CC |
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| InChI Key | BKVWVBYIODREGA-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 | toluenes |
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| Direct Parent | toluenes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acryloyl compoundsenoneshydrocarbon derivativesketonesorganic oxides |
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| Substituents | carbonyl groupalpha,beta-unsaturated ketoneketonearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundhydrocarbon derivativeacryloyl-grouptolueneorganooxygen compoundenone |
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