| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:25:58 UTC |
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| Update Date | 2025-03-25 01:03:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02260592 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H3NO2 |
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| Molecular Mass | 121.0164 |
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| SMILES | N#CC(=O)c1ccco1 |
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| InChI Key | BITJKGFKDMCINV-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 | furoic acid and derivatives |
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| Direct Parent | furoic acid and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acyl cyanidesaryl ketonesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compounds |
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| Substituents | furoic acid or derivativesnitrilearomatic heteromonocyclic compoundheteroaromatic compoundketoneoxacycleorganic oxideorganic oxygen compoundacyl cyanideorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcarbonitrileorganooxygen compoundaryl ketone |
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