| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:58:30 UTC |
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| Update Date | 2025-03-21 18:05:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00058616 |
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| Frequency | 53.8 |
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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 | Cc1ccc(N)cc1C |
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| InChI Key | DOLQYFPDPKPQSS-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 | xylenes |
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| Direct Parent | o-xylenes |
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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 compoundo-xyleneorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamine |
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