| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 02:41:27 UTC |
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| Update Date | 2025-03-21 21:55:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00441585 |
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| Frequency | 4.0 |
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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 | CC=C=CCC=CC |
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| InChI Key | CXFJLAPBTIIQSB-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | allenes |
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| Class | acyclic allenes |
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| Subclass | acyclic allenes |
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| Direct Parent | acyclic allenes |
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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 compoundacyclic alleneunsaturated aliphatic hydrocarbonhydrocarbonunsaturated hydrocarbon |
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