| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 01:40:49 UTC |
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| Update Date | 2025-03-21 20:00:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00298478 |
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| Frequency | 6.7 |
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| Structure | |
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| Chemical Formula | C6H5N |
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| Molecular Mass | 91.0422 |
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| SMILES | c1ccc2c(c1)N2 |
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| InChI Key | MIAGWAUWHNPQKI-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | azepines |
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| Subclass | azepines |
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| Direct Parent | azepines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzenoidshydrocarbon derivativesorganopnictogen compoundssecondary amines |
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| Substituents | azepineazacyclearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundsecondary amineamine |
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