| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:56:55 UTC |
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| Update Date | 2025-03-21 18:05:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00054863 |
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| Frequency | 58.5 |
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| Structure | |
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| Chemical Formula | C13H18 |
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| Molecular Mass | 174.1409 |
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| SMILES | C=C(C)c1cc(C)cc(C(C)C)c1 |
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| InChI Key | CUFGYQRBCAXSIV-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 hydrocarbonscumenescyclic olefinsphenylpropanestoluenesunsaturated aliphatic hydrocarbons |
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| Substituents | cyclic olefinolefinhydrocarbonunsaturated hydrocarbonphenylpropanearomatic homomonocyclic compoundbranched unsaturated hydrocarbonphenylpropeneunsaturated aliphatic hydrocarboncumenetoluene |
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