| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:55:06 UTC |
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| Update Date | 2025-03-25 00:51:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02190139 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H14O |
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| Molecular Mass | 174.1045 |
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| SMILES | CC(=O)CC=Cc1ccc(C)cc1 |
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| InChI Key | WJDMXBVPDXSVJS-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 | hydrocarbon derivativesketonesorganic oxides |
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| Substituents | ketonearomatic homomonocyclic compoundcarbonyl grouporganic oxideorganic oxygen compoundhydrocarbon derivativetolueneorganooxygen compound |
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