| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:26 UTC |
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| Update Date | 2025-03-25 00:53:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02199951 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H12N2 |
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| Molecular Mass | 232.1 |
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| SMILES | N#Cc1ccc(Cc2c[nH]c3ccccc23)cc1 |
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| InChI Key | CMPZSKOTQNALKX-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 | indoles and derivatives |
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| Subclass | indoles |
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| Direct Parent | indoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzonitrilesheteroaromatic compoundshydrocarbon derivativesnitrilesorganonitrogen compoundsorganopnictogen compoundspyrroles |
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| Substituents | monocyclic benzene moietynitrileazacycleindoleheteroaromatic compoundbenzonitrilearomatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundcarbonitrile |
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