| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:41 UTC |
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| Update Date | 2025-03-25 00:48:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02168575 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H16O |
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| Molecular Mass | 176.1201 |
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| SMILES | CC(C)(O)C=CCc1ccccc1 |
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| InChI Key | CJQUFKJSUZVLEH-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 derivativestertiary alcohols |
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| Substituents | alcoholaromatic homomonocyclic compoundmonocyclic benzene moietytertiary alcoholorganic oxygen compoundhydrocarbon derivativeorganooxygen compound |
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