| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 09:21:33 UTC |
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| Update Date | 2025-03-24 20:17:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01398505 |
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| Frequency | 0.9 |
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| Structure | |
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| Chemical Formula | C8H8N2 |
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| Molecular Mass | 132.0687 |
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| SMILES | N#CCNc1ccccc1 |
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| InChI Key | KAXCEFLQAYFJKV-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic nitrogen compounds |
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| Class | organonitrogen compounds |
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| Subclass | amines |
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| Direct Parent | phenylalkylamines |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | benzene and substituted derivativeshydrocarbon derivativesnitrilesorganopnictogen compoundssecondary alkylarylamines |
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| Substituents | monocyclic benzene moietynitrilesecondary aminesecondary aliphatic/aromatic aminearomatic homomonocyclic compoundorganopnictogen compoundphenylalkylaminehydrocarbon derivativebenzenoidcarbonitrile |
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