| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 03:57:20 UTC |
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| Update Date | 2025-03-21 23:01:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00621092 |
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| Frequency | 2.6 |
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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=C=CC(=C)CCC |
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| InChI Key | ADPPYPYFPOZIJQ-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 | acyclic allenesunsaturated aliphatic hydrocarbons |
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| Substituents | aliphatic acyclic compoundacyclic allenebranched unsaturated hydrocarbonunsaturated aliphatic hydrocarbon |
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