| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:28 UTC |
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| Update Date | 2025-03-21 18:40:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00130561 |
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| Frequency | 19.4 |
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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 | Cc1ccc(C(C)(C)C)cc1C=O |
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| InChI Key | SEVJAYNZOOWZBT-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 | phenylpropanes |
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| Direct Parent | phenylpropanes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | benzaldehydesbenzoyl derivativeshydrocarbon derivativesorganic oxidesorganooxygen compoundstoluenes |
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| Substituents | benzoylaldehydephenylpropanearomatic homomonocyclic compoundbenzaldehydeorganic oxidearyl-aldehydeorganic oxygen compoundhydrocarbon derivativetolueneorganooxygen compound |
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