| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:38:58 UTC |
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| Update Date | 2025-03-21 17:58:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00013098 |
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| Frequency | 343.9 |
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| Structure | |
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| Chemical Formula | C6H9NO |
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| Molecular Mass | 111.0684 |
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| SMILES | Cc1ccc(CN)o1 |
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| InChI Key | YSEAGSCGERFGBL-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 derivativesmonoalkylaminesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compounds |
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| Substituents | furanaromatic heteromonocyclic compoundheteroaromatic compoundoxacycleorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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