| Record Information |
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| HMDB Status | quantified |
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| Creation Date | 2024-02-20 23:33:49 UTC |
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| Update Date | 2025-03-21 17:56:24 UTC |
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| HMDB ID | HMDB0034168 |
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| Metabolite Identification |
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| DeepMet ID | DMID00001049 |
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| Name | Toluene |
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| Frequency | 5532.0 |
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| Structure | |
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| Chemical Formula | C7H8 |
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| Molecular Mass | 92.0626 |
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| SMILES | Cc1ccccc1 |
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| InChI Key | YXFVVABEGXRONW-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 | saturated hydrocarbons |
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| Substituents | aromatic homomonocyclic compoundsaturated hydrocarbontoluenehydrocarbon |
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