| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:33 UTC |
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| Update Date | 2025-03-25 00:53:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02197886 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H7NO2 |
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| Molecular Mass | 185.0477 |
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| SMILES | Cc1coc2ccc(C#N)cc2c1=O |
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| InChI Key | QLQMSCRPTPRDIK-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 | benzopyrans |
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| Subclass | 1-benzopyrans |
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| Direct Parent | chromones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | benzenoidsheteroaromatic compoundshydrocarbon derivativesnitrilesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundspyranones and derivatives |
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| Substituents | nitrileheteroaromatic compoundoxacycleorganic oxideorganic oxygen compoundchromonearomatic heteropolycyclic compoundpyranorganonitrogen compoundpyranoneorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundcarbonitrileorganooxygen compound |
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