| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:40 UTC |
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| Update Date | 2025-03-21 18:41:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00135559 |
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| Frequency | 18.5 |
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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 | Cc1ccc(CN)cc1C |
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| InChI Key | PXNRCZQMDSDSHJ-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 derivativesmonoalkylaminesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | aromatic homomonocyclic compoundo-xyleneorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compound |
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