| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:19:38 UTC |
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| Update Date | 2025-03-25 01:01:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02246293 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C4H6 |
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| Molecular Mass | 54.047 |
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| SMILES | CC1=CC1 |
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| InChI Key | SHDPRTQPPWIEJG-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 homomonocyclic compounds |
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| Alternative Parents | cycloalkenesunsaturated aliphatic hydrocarbons |
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| Substituents | cyclic olefinbranched unsaturated hydrocarboncycloalkenealiphatic homomonocyclic compoundunsaturated aliphatic hydrocarbonolefin |
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