| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 11:18:01 UTC |
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| Update Date | 2025-03-24 21:07:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01677265 |
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| Frequency | 0.7 |
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| Structure | |
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| Chemical Formula | C9H13N |
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| Molecular Mass | 135.1048 |
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| SMILES | CCc1cc(C)ccc1N |
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| InChI Key | ALEKNMMRSUEYCJ-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 derivativesorganopnictogen compoundsprimary amines |
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| Substituents | aromatic homomonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundtolueneamine |
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