| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-20 23:51:10 UTC |
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| Update Date | 2025-03-21 18:02:57 UTC |
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| HMDB ID | HMDB0041792 |
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| Metabolite Identification |
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| DeepMet ID | DMID00041310 |
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| Name | 1,3-Butadiene |
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| Frequency | 83.3 |
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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 | C=CC=C |
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| InChI Key | KAKZBPTYRLMSJV-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 | olefins |
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| Direct Parent | alkadienes |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | unsaturated aliphatic hydrocarbons |
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| Substituents | aliphatic acyclic compoundalkadieneunsaturated aliphatic hydrocarbon |
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