| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 10:08:15 UTC |
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| Update Date | 2025-03-24 20:37:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01509507 |
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| Frequency | 0.8 |
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| Structure | |
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| Chemical Formula | C9H9N |
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| Molecular Mass | 131.0735 |
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| SMILES | NCC#Cc1ccccc1 |
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| InChI Key | DEHHYUARFKIUDI-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 | benzene and substituted derivatives |
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| Direct Parent | benzene and substituted derivatives |
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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 compoundmonocyclic benzene moietyorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compound |
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