| Record Information |
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| HMDB Status | quantified |
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| Creation Date | 2024-02-21 00:14:02 UTC |
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| Update Date | 2025-03-21 18:33:24 UTC |
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| HMDB ID | HMDB0061923 |
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| Metabolite Identification |
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| DeepMet ID | DMID00095672 |
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| Name | 1,3-Di-tert-butylbenzene |
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| Frequency | 29.0 |
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| Structure | |
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| Chemical Formula | C14H22 |
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| Molecular Mass | 190.1722 |
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| SMILES | CC(C)(C)c1cccc(C(C)(C)C)c1 |
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| InChI Key | ILNDSSCEZZFNGE-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 | saturated hydrocarbons |
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| Substituents | phenylpropanearomatic homomonocyclic compoundsaturated hydrocarbonhydrocarbon |
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