| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:52:00 UTC |
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| Update Date | 2025-03-21 18:52:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00185965 |
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| Frequency | 12.3 |
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| Structure | |
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| Chemical Formula | C8H11N |
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| Molecular Mass | 121.0891 |
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| SMILES | CNc1ccc(C)cc1 |
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| InChI Key | QCIFLGSATTWUQJ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic nitrogen compounds |
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| Class | organonitrogen compounds |
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| Subclass | amines |
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| Direct Parent | phenylalkylamines |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | hydrocarbon derivativesorganopnictogen compoundssecondary alkylarylaminestoluenes |
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| Substituents | monocyclic benzene moietysecondary aminesecondary aliphatic/aromatic aminearomatic homomonocyclic compoundorganopnictogen compoundphenylalkylaminehydrocarbon derivativebenzenoidtoluene |
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