| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 12:19:52 UTC |
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| Update Date | 2025-03-24 21:35:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01824963 |
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| Frequency | 0.7 |
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| Structure | |
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| Chemical Formula | C8H7N |
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| Molecular Mass | 117.0578 |
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| SMILES | C1=CC2=CNC(=C1)C=C2 |
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| InChI Key | LWOOGULTQQPQMK-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 | aliphatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsdialkylaminesdihydropyridineshydrocarbon derivativesorganopnictogen compounds |
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| Substituents | secondary aliphatic amineazacyclesecondary aminealiphatic heteropolycyclic compoundazepineorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compounddihydropyridineamine |
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