| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:55:00 UTC |
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| Update Date | 2025-03-21 18:04:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00050507 |
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| Frequency | 65.0 |
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| Structure | |
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| Chemical Formula | C8H12 |
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| Molecular Mass | 108.0939 |
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| SMILES | C=CC=C(C)C=CC |
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| InChI Key | VDVUHKKDSQTGOS-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | hydrocarbons |
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| Class | unsaturated hydrocarbons |
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| Subclass | branched unsaturated hydrocarbons |
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| Direct Parent | branched unsaturated hydrocarbons |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkatrienesunsaturated aliphatic hydrocarbons |
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| Substituents | aliphatic acyclic compoundbranched unsaturated hydrocarbonalkatrieneunsaturated aliphatic hydrocarbonolefinacyclic olefin |
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