| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 07:28:57 UTC |
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| Update Date | 2025-03-24 22:14:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01127559 |
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| Frequency | 1.2 |
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| Structure | |
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| Chemical Formula | C11H12 |
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| Molecular Mass | 144.0939 |
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| SMILES | C#Cc1cccc(C(C)C)c1 |
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| InChI Key | MPHWKUPDZYACTI-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 | cumenes |
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| Direct Parent | cumenes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acetylenesacetylidesphenylpropanesunsaturated aliphatic hydrocarbons |
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| Substituents | phenylpropanearomatic homomonocyclic compoundacetylideunsaturated aliphatic hydrocarboncumenehydrocarbonunsaturated hydrocarbonacetylene |
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