| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:36:42 UTC |
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| Update Date | 2025-03-21 17:57:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00007760 |
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| Frequency | 642.8 |
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| Structure | |
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| Chemical Formula | C13H20 |
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| Molecular Mass | 176.1565 |
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| SMILES | Cc1cc(C(C)C)cc(C(C)C)c1 |
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| InChI Key | SOALUUXENHDLMW-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 | cumenes |
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| Direct Parent | cumenes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | phenylpropanessaturated hydrocarbonstoluenes |
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| Substituents | phenylpropanearomatic homomonocyclic compoundsaturated hydrocarboncumenetoluenehydrocarbon |
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