| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:37 UTC |
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| Update Date | 2025-03-21 18:41:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00135457 |
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| Frequency | 18.5 |
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| Structure | |
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| Chemical Formula | C12H16 |
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| Molecular Mass | 160.1252 |
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| SMILES | C=C(C)c1ccc(C)c(CC)c1 |
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| InChI Key | NMBCKVCQVPJCIJ-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 | phenylpropenes |
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| Direct Parent | phenylpropenes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | branched unsaturated hydrocarbonscyclic olefinstoluenesunsaturated aliphatic hydrocarbons |
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| Substituents | aromatic homomonocyclic compoundcyclic olefinbranched unsaturated hydrocarbonphenylpropeneunsaturated aliphatic hydrocarbonolefintoluenehydrocarbonunsaturated hydrocarbon |
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