| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:56 UTC |
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| Update Date | 2025-03-25 00:46:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02155693 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16 |
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| Molecular Mass | 172.1252 |
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| SMILES | Cc1ccc2c(c1C)C(C)(C)C=C2 |
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| InChI Key | TXJRWASFICIKNC-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | indenes and isoindenes |
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| Subclass | indenes and isoindenes |
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| Direct Parent | indenes and isoindenes |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | cyclic olefinspolycyclic hydrocarbonsunsaturated aliphatic hydrocarbons |
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| Substituents | cyclic olefinindeneunsaturated aliphatic hydrocarbonolefinaromatic homopolycyclic compoundpolycyclic hydrocarbonhydrocarbonunsaturated hydrocarbon |
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