| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 12:05:48 UTC |
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| Update Date | 2025-03-24 21:28:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01790933 |
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| Frequency | 0.7 |
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| Structure | |
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| Chemical Formula | C8H12N2 |
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| Molecular Mass | 136.1 |
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| SMILES | Cc1cccc(CN)c1N |
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| InChI Key | XKVRYNGNXDBLEZ-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 | hydrocarbon derivativesmonoalkylaminesorganopnictogen compounds |
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| Substituents | aromatic homomonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineprimary amineorganic nitrogen compoundtolueneamine |
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