| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:27 UTC |
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| Update Date | 2025-03-25 00:53:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02199993 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H11NO |
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| Molecular Mass | 221.0841 |
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| SMILES | N#Cc1ccc2c(c1)COc1ccccc1C2 |
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| InChI Key | HKXXJNKJJDFTFB-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 | benzoxepines |
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| Subclass | dibenzoxepines |
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| Direct Parent | dibenzoxepines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersbenzenoidshydrocarbon derivativesnitrilesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compounds |
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| Substituents | ethernitrilealkyl aryl etheroxacycleorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compounddibenzoxepinecarbonitrileorganooxygen compound |
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