| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 16:58:46 UTC |
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| Update Date | 2025-03-25 01:39:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02476269 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H5NO |
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| Molecular Mass | 107.0371 |
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| SMILES | Cc1coc(C#N)c1 |
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| InChI Key | IHSJVRLWGOHIIG-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 | furans |
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| Subclass | furans |
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| Direct Parent | furans |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | heteroaromatic compoundshydrocarbon derivativesnitrilesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compounds |
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| Substituents | furannitrilearomatic heteromonocyclic compoundheteroaromatic compoundoxacycleorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcarbonitrileorganooxygen compound |
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