| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:34 UTC |
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| Update Date | 2025-03-25 00:57:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02225663 |
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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 | CC(C)=C=CCc1ccccc1C |
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| InChI Key | FFUCCCDUUOWOJM-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 | benzene and substituted derivatives |
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| Subclass | toluenes |
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| Direct Parent | toluenes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | branched unsaturated hydrocarbonscyclic allenesunsaturated aliphatic hydrocarbons |
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| Substituents | aromatic homomonocyclic compoundbranched unsaturated hydrocarboncyclic alleneunsaturated aliphatic hydrocarbontoluenehydrocarbonunsaturated hydrocarbon |
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