| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:10 UTC |
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| Update Date | 2025-03-21 18:33:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00096033 |
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| Frequency | 28.8 |
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| Structure | |
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| Chemical Formula | C9H6N2O |
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| Molecular Mass | 158.048 |
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| SMILES | N#Cc1c[nH]c2ccc(O)cc12 |
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| InChI Key | CXKOJSYDMZPWIK-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 | 1-hydroxy-2-unsubstituted benzenoidsazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesnitrilesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrroles |
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| Substituents | nitrileazacycleindoleheteroaromatic compound1-hydroxy-2-unsubstituted benzenoidorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundcarbonitrileorganooxygen compound |
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